ChemSpider 2D Image | (1R,3S,6R,8aR)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-6-isopropyl-1-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-5-oxooctahydro-3-indolizinecarbox amide | C38H47N5O7S2

(1R,3S,6R,8aR)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-6-isopropyl-1-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-5-oxooctahydro-3-indolizinecarbox amide

  • Molecular FormulaC38H47N5O7S2
  • Average mass749.939 Da
  • Monoisotopic mass749.291687 Da
  • ChemSpider ID28491540

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,3S,6R,8aR)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-6-isopropyl-1-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-chinolinyl]oxy}-5-oxooctahydro-3-indolizincarboxa mid [German] [ACD/IUPAC Name]
(1R,3S,6R,8aR)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-6-isopropyl-1-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-méthoxy-8-méthyl-4-quinoléinyl]oxy}-5-oxooctahydro-3-indolizinecarbo xamide [French] [ACD/IUPAC Name]
(1R,3S,6R,8aR)-N-{(1R,2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-6-isopropyl-1-{[2-(4-isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methyl-4-quinolinyl]oxy}-5-oxooctahydro-3-indolizinecarbox amide [ACD/IUPAC Name]
3-Indolizinecarboxamide, N-[(1R,2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]octahydro-1-[[7-methoxy-8-methyl-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]-6-(1-methylethyl) -5-oxo-, (1R,3S,6R,8aR)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 198.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 309.63
ACD/KOC (pH 5.5): 1148.73
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 30.36
ACD/KOC (pH 7.4): 112.65
Polar Surface Area: 194 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 67.3±5.0 dyne/cm
Molar Volume: 545.6±5.0 cm3

Click to predict properties on the Chemicalize site


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