ChemSpider 2D Image | Ethyl (6aR,7S,7aR,15aR)-2-chloro-7a,11-dimethyl-8,14-dioxo-6a,7a,8,9,14,15a-hexahydro-6H,7H-chromeno[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxylate | C24H23ClN2O5

Ethyl (6aR,7S,7aR,15aR)-2-chloro-7a,11-dimethyl-8,14-dioxo-6a,7a,8,9,14,15a-hexahydro-6H,7H-chromeno[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxylate

  • Molecular FormulaC24H23ClN2O5
  • Average mass454.903 Da
  • Monoisotopic mass454.129547 Da
  • ChemSpider ID26371075

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6aR,7S,7aR,15aR)-2-Chloro-7a,11-diméthyl-8,14-dioxo-6a,7a,8,9,14,15a-hexahydro-6H,7H-chroméno[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazépine-7-carboxylate d'éthyle [French] [ACD/IUPAC Name]
6H,7H-[1]Benzopyrano[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxylic acid, 2-chloro-6a,7a,8,9,14,15a-hexahydro-7a,11-dimethyl-8,14-dioxo-, ethyl ester, (6aR,7S,7aR,15aR)- [ACD/Index Name]
Ethyl (6aR,7S,7aR,15aR)-2-chloro-7a,11-dimethyl-8,14-dioxo-6a,7a,8,9,14,15a-hexahydro-6H,7H-chromeno[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazepine-7-carboxylate [ACD/IUPAC Name]
Ethyl-(6aR,7S,7aR,15aR)-2-chlor-7a,11-dimethyl-8,14-dioxo-6a,7a,8,9,14,15a-hexahydro-6H,7H-chromeno[3',4':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-7-carboxylat [German] [ACD/IUPAC 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: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.4±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.63
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 536.20
ACD/KOC (pH 5.5): 3127.92
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 536.20
ACD/KOC (pH 7.4): 3127.90
Polar Surface Area: 85 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 317.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement