ChemSpider 2D Image | 6-(4-Chlorophenyl)-5-(4-methoxyphenyl)-7-[3-(4-morpholinyl)propyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one | C27H31ClN4O3

6-(4-Chlorophenyl)-5-(4-methoxyphenyl)-7-[3-(4-morpholinyl)propyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one

  • Molecular FormulaC27H31ClN4O3
  • Average mass495.013 Da
  • Monoisotopic mass494.208466 Da
  • ChemSpider ID21502570

More details:

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

6-(4-Chlorophenyl)-5-(4-methoxyphenyl)-7-[3-(4-morpholinyl)propyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one [ACD/IUPAC Name]
6-(4-Chlorophényl)-5-(4-méthoxyphényl)-7-[3-(4-morpholinyl)propyl]-2,3,6,7-tétrahydropyrrolo[3,4-e][1,4]diazépin-8(1H)-one [French] [ACD/IUPAC Name]
6-(4-chlorophenyl)-5-(4-methoxyphenyl)-7-[3-(morpholin-4-yl)propyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-one
6-(4-Chlorphenyl)-5-(4-methoxyphenyl)-7-[3-(4-morpholinyl)propyl]-2,3,6,7-tetrahydropyrrolo[3,4-e][1,4]diazepin-8(1H)-on [German] [ACD/IUPAC Name]
Pyrrolo[3,4-e]-1,4-diazepin-8(1H)-one, 6-(4-chlorophenyl)-2,3,6,7-tetrahydro-5-(4-methoxyphenyl)-7-[3-(4-morpholinyl)propyl]- [ACD/Index Name]
6-(4-chlorophenyl)-5-(4-methoxyphenyl)-7-(3-morpholin-4-ylpropyl)-1H,2H,3H-3-pyrrolino[3,4-f]1,4-diazepin-8-one
6-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-7-(3-morpholin-4-yl-propyl)-2,3,6,7-tetrahydro-1H-pyrrolo[3,4-e][1,4]diazepin-8-one
6-(4-chlorophenyl)-5-(4-methoxyphenyl)-7-[3-(morpholin-4-yl)propyl]-1H,2H,3H,6H,7H,8H-pyrrolo[3,4-e][1,4]diazepin-8-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 136.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.10
Polar Surface Area: 66 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 50.4±7.0 dyne/cm
Molar Volume: 373.9±7.0 cm3

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