ChemSpider 2D Image | (4R,6S,7Z,15S,17S)-17-({[2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-4-quinolinyl]oxy}methyl)-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4 -carboxamide | C37H46N6O7S2

(4R,6S,7Z,15S,17S)-17-({[2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-4-quinolinyl]oxy}methyl)-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.04,6]heptadec-7-ene-4 -carboxamide

  • Molecular FormulaC37H46N6O7S2
  • Average mass750.927 Da
  • Monoisotopic mass750.286926 Da
  • ChemSpider ID35035141

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4R,6S,7Z,15S,17S)-17-({[2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-4-chinolinyl]oxy}methyl)-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.04,6]heptadec-7-en-4- carboxamid [German] [ACD/IUPAC Name]
(4R,6S,7Z,15S,17S)-17-({[2-(4-Isopropyl-1,3-thiazol-2-yl)-7-méthoxy-4-quinoléinyl]oxy}méthyl)-13-méthyl-N-[(1-méthylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.04,6]heptadéc-7-ène- 4-carboxamide [French] [ACD/IUPAC Name]
(4R,6S,7Z,15S,17S)-17-({[2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-4-quinolinyl]oxy}methyl)-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.04,6]heptadec-7-ene-4 -carboxamide [ACD/IUPAC Name]
(4r,6s,7z,15s,17s)-17-[({7-Methoxy-2-[4-(Propan-2-Yl)-1,3-Thiazol-2-Yl]quinolin-4-Yl}oxy)methyl]-13-Methyl-N-[(1-Methylcyclopropyl)sulfonyl]-2,14-Dioxo-1,3,13-Triazatricyclo[13.2.0.04,6]heptadec-7-Ene-4-Carboxamide
1,3,13-Triazatricyclo[13.2.0.04,6]heptadec-7-ene-4-carboxamide, 17-[[[7-methoxy-2-[4-(1-methylethyl)-2-thiazolyl]-4-quinolinyl]oxy]methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-, (4 
R,6S,7Z,15S,17S)- [ACD/Index Name]
3EO

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: 1.666
Molar Refractivity: 197.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 502.61
ACD/KOC (pH 5.5): 1710.94
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 42.47
ACD/KOC (pH 7.4): 144.57
Polar Surface Area: 197 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 72.7±5.0 dyne/cm
Molar Volume: 532.2±5.0 cm3

Click to predict properties on the Chemicalize site


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