ChemSpider 2D Image | deldeprevir | C45H56F2N6O8S2

deldeprevir

  • Molecular FormulaC45H56F2N6O8S2
  • Average mass911.088 Da
  • Monoisotopic mass910.356934 Da
  • ChemSpider ID27444384

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,6R,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-[2-(3,3-difluor-1-piperidinyl)-2-oxoethyl]-2-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-chinolinyl]oxy}-5,16-dioxo-1,2,3,6,7,8,9,10,11 ,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14a(5H)-carboxamid [German] [ACD/IUPAC Name]
(2R,6R,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-[2-(3,3-difluoro-1-pipéridinyl)-2-oxoéthyl]-2-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-méthoxy-8-méthyl-4-quinoléinyl]oxy}-5,16-dioxo-1,2,3,6,7,8,9,10, 11,13a,14,15,16,16a-tétradécahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécine-14a(5H)-carboxamide [French] [ACD/IUPAC Name]
(2R,6R,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-6-[2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl]-2-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-5,16-dioxo-1,2,3,6,7,8,9,10,1 1,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide [ACD/IUPAC Name]
(2R,6R,12Z,13aS,14aR,16aS)-N-(cyclopropylsulfonyl)-6-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-2-({7-methoxy-8-methyl-2-[4-(1-methylethyl)thiazol-2-yl]quinolin-4-yl}oxy)-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
1229626-28-1 [RN]
ACH-0142684
Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-6-[2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[ [7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)- [ACD/Index Name]
Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-6-[2-(3,3-difluoro-1-piperidinyl)-2-oxoethyl]-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-2-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-5,16-dioxo-, (2R,6R,12Z,13aS,14aR,16aS)-
deldeprevir [INN] [USAN]
deldeprevir [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 233.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 454.44
ACD/KOC (pH 5.5): 1489.20
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 46.60
ACD/KOC (pH 7.4): 152.71
Polar Surface Area: 214 Å2
Polarizability: 92.4±0.5 10-24cm3
Surface Tension: 68.2±5.0 dyne/cm
Molar Volume: 648.2±5.0 cm3

Click to predict properties on the Chemicalize site


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