ChemSpider 2D Image | (2-Oxo-1,3-dioxolan-4-yl)methyl 1-{[5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl]methyl}-2-[(1-isopropyl-4-piperidinyl)carbamoyl]-1H-indole-5-carboxylate | C30H31ClN4O7S

(2-Oxo-1,3-dioxolan-4-yl)methyl 1-{[5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl]methyl}-2-[(1-isopropyl-4-piperidinyl)carbamoyl]-1H-indole-5-carboxylate

  • Molecular FormulaC30H31ClN4O7S
  • Average mass627.108 Da
  • Monoisotopic mass626.160217 Da
  • ChemSpider ID9333000

More details:

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

(2-Oxo-1,3-dioxolan-4-yl)methyl 1-{[5-(5-chloro-2-thienyl)-1,2-oxazol-3-yl]methyl}-2-[(1-isopropyl-4-piperidinyl)carbamoyl]-1H-indole-5-carboxylate [ACD/IUPAC Name]
(2-Oxo-1,3-dioxolan-4-yl)methyl-1-{[5-(5-chlor-2-thienyl)-1,2-oxazol-3-yl]methyl}-2-[(1-isopropyl-4-piperidinyl)carbamoyl]-1H-indol-5-carboxylat [German] [ACD/IUPAC Name]
1-{[5-(5-Chloro-2-thiényl)-1,2-oxazol-3-yl]méthyl}-2-[(1-isopropyl-4-pipéridinyl)carbamoyl]-1H-indole-5-carboxylate de (2-oxo-1,3-dioxolan-4-yl)méthyle [French] [ACD/IUPAC Name]
1H-Indole-5-carboxylic acid, 1-[[5-(5-chloro-2-thienyl)-3-isoxazolyl]methyl]-2-[[[1-(1-methylethyl)-4-piperidinyl]amino]carbonyl]-, (2-oxo-1,3-dioxolan-4-yl)methyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 880.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.0±3.0 kJ/mol
Flash Point: 486.2±34.3 °C
Index of Refraction: 1.697
Molar Refractivity: 159.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.69
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 4.05
ACD/KOC (pH 7.4): 23.87
Polar Surface Area: 153 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 414.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement