ChemSpider 2D Image | (3S)-4-{5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl}-N,N-dimethyl-3-morpholinecarboxamide | C30H32ClN3O8S

(3S)-4-{5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl}-N,N-dimethyl-3-morpholinecarboxamide

  • Molecular FormulaC30H32ClN3O8S
  • Average mass630.108 Da
  • Monoisotopic mass629.159851 Da
  • ChemSpider ID8049704

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-4-{5-Chlor-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl}-N,N-dimethyl-3-morpholincarboxamid [German] [ACD/IUPAC Name]
(3S)-4-{5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl}-N,N-dimethyl-3-morpholinecarboxamide [ACD/IUPAC Name]
(3S)-4-{5-Chloro-1-[(2,4-diméthoxyphényl)sulfonyl]-3-(2-méthoxyphényl)-2-oxo-2,3-dihydro-1H-indol-3-yl}-N,N-diméthyl-3-morpholinecarboxamide [French] [ACD/IUPAC Name]
3-Morpholinecarboxamide, 4-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-2,3-dihydro-3-(2-methoxyphenyl)-2-oxo-1H-indol-3-yl]-N,N-dimethyl-, (3S)- [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: 778.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.8±35.7 °C
Index of Refraction: 1.618
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 126.14
ACD/KOC (pH 5.5): 1110.22
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 126.15
ACD/KOC (pH 7.4): 1110.24
Polar Surface Area: 123 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 457.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement