ChemSpider 2D Image | (1R,19R,21R,24S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-21-isopropyl-19-methyl-3,22-dioxo-2-oxa-4,20,23-triazatetracyclo[21.2.1.1~4,7~.0~6,11~]heptacosa-6,8,10-triene-24-car boxamide | C37H53N5O7S

(1R,19R,21R,24S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-21-isopropyl-19-methyl-3,22-dioxo-2-oxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-car boxamide

  • Molecular FormulaC37H53N5O7S
  • Average mass711.911 Da
  • Monoisotopic mass711.366577 Da
  • ChemSpider ID28501668

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,19R,21R,24S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-21-isopropyl-19-methyl-3,22-dioxo-2-oxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-trien-24-carb 
oxamid [German] [ACD/IUPAC Name]
(1R,19R,21R,24S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-21-isopropyl-19-methyl-3,22-dioxo-2-oxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triene-24-car 
boxamide [ACD/IUPAC Name]
(1R,19R,21R,24S)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-21-isopropyl-19-méthyl-3,22-dioxo-2-oxa-4,20,23-triazatétracyclo[21.2.1.14,7.06,11]heptacosa-6,8,10-triène-24-car 
boxamide [French] [ACD/IUPAC Name]
3H,5H-2,23:5,8-Dimethano-4,2,8,11-benzoxatriazacycloheneicosine-7-carboxamide, N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-1,6,7,9,10,11,12,13,14,15,16,17,18,19-tetradeca hydro-12-methyl-10-(1-methylethyl)-3,9-dioxo-, (5R,7S,10R,12R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 189.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.39
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.16
ACD/KOC (pH 7.4): 7.88
Polar Surface Area: 163 Å2
Polarizability: 75.1±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 545.1±5.0 cm3

Click to predict properties on the Chemicalize site


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