ChemSpider 2D Image | (5R,8S)-7-[(2S)-2-{[(2S)-2-Cyclohexyl-2-{[(5-methyl-2-pyrazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethylbutanoyl]-10,10-dimethyl-N-{(1R,2S)-1-[(1-pyrrolidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7 -azadispiro[3.0.4.1]decane-8-carboxamide (non-preferred name) | C42H62N8O7S

(5R,8S)-7-[(2S)-2-{[(2S)-2-Cyclohexyl-2-{[(5-methyl-2-pyrazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethylbutanoyl]-10,10-dimethyl-N-{(1R,2S)-1-[(1-pyrrolidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7 -azadispiro[3.0.4.1]decane-8-carboxamide (non-preferred name)

  • Molecular FormulaC42H62N8O7S
  • Average mass823.056 Da
  • Monoisotopic mass822.446228 Da
  • ChemSpider ID76804729

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(5R,8S)-7-[(2S)-2-{[(2S)-2-Cyclohexyl-2-{[(5-methyl-2-pyrazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethylbutanoyl]-10,10-dimethyl-N-{(1R,2S)-1-[(1-pyrrolidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7 -azadispiro[3.0.4.1]decan-8-carboxamid (non-preferred name) [German] [ACD/IUPAC Name]
(5R,8S)-7-[(2S)-2-{[(2S)-2-Cyclohexyl-2-{[(5-methyl-2-pyrazinyl)carbonyl]amino}acetyl]amino}-3,3-dimethylbutanoyl]-10,10-dimethyl-N-{(1R,2S)-1-[(1-pyrrolidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7 -azadispiro[3.0.4.1]decane-8-carboxamide (non-preferred name) [ACD/IUPAC Name]
(5R,8S)-7-[(2S)-2-{[(2S)-2-Cyclohexyl-2-{[(5-méthyl-2-pyrazinyl)carbonyl]amino}acétyl]amino}-3,3-diméthylbutanoyl]-10,10-diméthyl-N-{(1R,2S)-1-[(1-pyrrolidinylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7 -azadispiro[3.0.4.1]décane-8-carboxamide (non-preferred name) [French] [ACD/IUPAC 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: 1.615
Molar Refractivity: 217.5±0.4 cm3
#H bond acceptors: 15
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 205.76
ACD/KOC (pH 5.5): 1058.15
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 11.60
ACD/KOC (pH 7.4): 59.64
Polar Surface Area: 208 Å2
Polarizability: 86.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 623.0±5.0 cm3

Click to predict properties on the Chemicalize site


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