ChemSpider 2D Image | MFCD00917023 | C32H28N4O3

MFCD00917023

  • Molecular FormulaC32H28N4O3
  • Average mass516.590 Da
  • Monoisotopic mass516.216125 Da
  • ChemSpider ID108930

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(3-Methylphenyl)-3-{(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}harnstoff [German] [ACD/IUPAC Name]
1-(3-Methylphenyl)-3-{(3R)-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl}urea [ACD/IUPAC Name]
1-(3-Méthylphényl)-3-{(3R)-1-[2-(2-méthylphényl)-2-oxoéthyl]-2-oxo-5-phényl-2,3-dihydro-1H-1,4-benzodiazépin-3-yl}urée [French] [ACD/IUPAC Name]
145084-28-2 [RN]
MFCD00917023
N-[(3R)-2,3-Dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)-urea
Urea, N-[(3R)-2,3-dihydro-1-[2-(2-methylphenyl)-2-oxoethyl]-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl]-N'-(3-methylphenyl)- [ACD/Index Name]
(R)-1-(2-oxo-1-(2-oxo-2-(o-tolyl)ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-(m-tolyl)urea
(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N'-(3-METHYLPHENYL)-UREA
(R)-N-[2,3-DIHYDRO-1-[2-(2-METHYLPHENYL)-2-OXOETHYL]-2-OXO-5-PHENYL-1H-1,4-BENZODIAZEPIN-3-YL]-N-(3-METHYLPHENYL)-UREA
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

772CP7W12N [DBID]
YM 022 [DBID]
YM-022 [DBID]
UNII:772CP7W12N [DBID]
UNII-772CP7W12N [DBID]
  • Miscellaneous

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.6±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 152.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1418.06
ACD/KOC (pH 5.5): 6269.26
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1418.69
ACD/KOC (pH 7.4): 6272.04
Polar Surface Area: 91 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 419.4±7.0 cm3

Click to predict properties on the Chemicalize site


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