ChemSpider 2D Image | (3R,5S,8S)-8-Cyclohexyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-13,13-dimethyl-7,10-dioxo-2,11-dioxa-6,9,27-triazapentacyclo[15.10.2.1~3,6~.0~20,28~.0~21,26~]triaconta-1(27), 17,19,21,23,25,28-heptaene-5-carboxamide | C43H53N5O8S

(3R,5S,8S)-8-Cyclohexyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-13,13-dimethyl-7,10-dioxo-2,11-dioxa-6,9,27-triazapentacyclo[15.10.2.13,6.020,28.021,26]triaconta-1(27), 17,19,21,23,25,28-heptaene-5-carboxamide

  • Molecular FormulaC43H53N5O8S
  • Average mass799.975 Da
  • Monoisotopic mass799.361511 Da
  • ChemSpider ID28522569

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,5S,8S)-8-Cyclohexyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-13,13-dimethyl-7,10-dioxo-2,11-dioxa-6,9,27-triazapentacyclo[15.10.2.13,6.020,28.021,26]triaconta-1(27), 17,19,21,23,25,28-heptaen-5-carboxamid [German] [ACD/IUPAC Name]
(3R,5S,8S)-8-Cyclohexyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-13,13-dimethyl-7,10-dioxo-2,11-dioxa-6,9,27-triazapentacyclo[15.10.2.13,6.020,28.021,26]triaconta-1(27), 17,19,21,23,25,28-heptaene-5-carboxamide [ACD/IUPAC Name]
(3R,5S,8S)-8-Cyclohexyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-13,13-diméthyl-7,10-dioxo-2,11-dioxa-6,9,27-triazapentacyclo[15.10.2.13,6.020,28.021,26]triaconta-1(27), 17,19,21,23,25,28-heptaène-5-carboxamide [French] [ACD/IUPAC Name]
2H-16,18-Ethanediylidene-2,5-methano-11H-[1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoline-4-carboxamide, 7-cyclohexyl-N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-3,4 ,6,7,8,9,12,13,14,15-decahydro-12,12-dimethyl-6,9-dioxo-, (2R,4S,7S)- [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: 1.657
Molar Refractivity: 215.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 839.87
ACD/KOC (pH 5.5): 2342.87
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 82.70
ACD/KOC (pH 7.4): 230.70
Polar Surface Area: 181 Å2
Polarizability: 85.5±0.5 10-24cm3
Surface Tension: 67.9±5.0 dyne/cm
Molar Volume: 586.5±5.0 cm3

Click to predict properties on the Chemicalize site


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