ChemSpider 2D Image | (2R)-2-{[7-Methoxy-2-(1,3-thiazol-2-yl)-4-quinolinyl]oxy}-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid | C36H45N5O8S

(2R)-2-{[7-Methoxy-2-(1,3-thiazol-2-yl)-4-quinolinyl]oxy}-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid

  • Molecular FormulaC36H45N5O8S
  • Average mass707.836 Da
  • Monoisotopic mass707.298889 Da
  • ChemSpider ID8488070

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

(2R)-2-{[7-Methoxy-2-(1,3-thiazol-2-yl)-4-chinolinyl]oxy}-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-14a(5H)-carbonsäure [German] [ACD/IUPAC Name]
(2R)-2-{[7-Methoxy-2-(1,3-thiazol-2-yl)-4-quinolinyl]oxy}-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxohexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid [ACD/IUPAC Name]
Acide (2R)-2-{[7-méthoxy-2-(1,3-thiazol-2-yl)-4-quinoléinyl]oxy}-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-5,16-dioxohexadécahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadécine-14a(5H)-carb oxylique [French] [ACD/IUPAC Name]
Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]hexadecahydro-2-[[7-methoxy-2-(2-thiazolyl)-4-quinolinyl]oxy]-5,16-dioxo-, (2R)- [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: 1.639
Molar Refractivity: 186.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 14.05
ACD/KOC (pH 5.5): 69.54
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.72
Polar Surface Area: 198 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 517.1±5.0 cm3

Click to predict properties on the Chemicalize site


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