ChemSpider 2D Image | Dimethyl 5-{[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]amino}isophthalate | C27H24N4O6

Dimethyl 5-{[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]amino}isophthalate

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID30847223

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[(2,3-dihydro-1-methyl-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)amino]carbonyl]amino]-, dimethyl ester [ACD/Index Name]
5-{[(1-Méthyl-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl)carbamoyl]amino}isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-{[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]amino}isophthalate [ACD/IUPAC Name]
Dimethyl-5-{[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]amino}isophthalat [German] [ACD/IUPAC Name]
1,3-dimethyl 5-{[(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)carbamoyl]amino}benzene-1,3-dicarboxylate
1796929-37-7 [RN]
methyl 5-((N-(2,5-diaza-2-methyl-3-oxo-6-phenylbicyclo[5.4.0]undeca-1(7),5,8,10-tetraen-4-yl)carbamoyl)amino)-3-(methoxycarbonyl)benzoate
MFCD26794026 [MDL number]
MS-9296

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.5±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.33
ACD/KOC (pH 5.5): 2346.20
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 362.93
ACD/KOC (pH 7.4): 2363.14
Polar Surface Area: 126 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 377.0±7.0 cm3

Click to predict properties on the Chemicalize site


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