ChemSpider 2D Image | (3R,8S)-22-Methoxy-14-methyl-6-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.1~11,15~.0~3,8~]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione | C29H35N5O7S

(3R,8S)-22-Methoxy-14-methyl-6-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione

  • Molecular FormulaC29H35N5O7S
  • Average mass597.682 Da
  • Monoisotopic mass597.225708 Da
  • ChemSpider ID115002540

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,8S)-22-Methoxy-14-methyl-6-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaen-10,18-dion [German] [ACD/IUPAC Name]
(3R,8S)-22-Methoxy-14-methyl-6-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-2,16-dioxa-6,9,19-triazatetracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaene-10,18-dione [ACD/IUPAC Name]
(3R,8S)-22-Méthoxy-14-méthyl-6-[(1,3,5-triméthyl-1H-pyrazol-4-yl)sulfonyl]-2,16-dioxa-6,9,19-triazatétracyclo[19.2.2.111,15.03,8]hexacosa-1(23),11(26),12,14,21,24-hexaène-10,18-dione [French] [ACD/IUPAC Name]
2,5-Etheno-11,15-metheno-15H-pyrido[4,3-k][1,10,4,13]dioxadiazacyclononadecine-8,16(9H,17H)-dione, 6,7,17a,18,19,20,21,21a-octahydro-23-methoxy-12-methyl-19-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl] -, (17aS,21aR)- [ACD/Index Name]

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: 1.658
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 20.92
ACD/KOC (pH 5.5): 306.83
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.92
ACD/KOC (pH 7.4): 306.83
Polar Surface Area: 149 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 421.6±7.0 cm3

Click to predict properties on the Chemicalize site


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