ChemSpider 2D Image | lodazecar | C22H24BrClN4O4

lodazecar

  • Molecular FormulaC22H24BrClN4O4
  • Average mass523.807 Da
  • Monoisotopic mass522.066956 Da
  • ChemSpider ID59093

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(3S)-6-Brom-5-(2-chlorphenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methyl-2-propanyl)harnstoff [German] [ACD/IUPAC Name]
1-[(3S)-6-Bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl]-3-(1,3-dihydroxy-2-methyl-2-propanyl)urea [ACD/IUPAC Name]
1-[(3S)-6-Bromo-5-(2-chlorophényl)-1,3-diméthyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazépin-7-yl]-3-(1,3-dihydroxy-2-méthyl-2-propanyl)urée [French] [ACD/IUPAC Name]
87646-83-1 [RN]
lodazecar [INN]
lodazecar [Spanish] [INN]
lodazécar [French] [INN]
lodazecarum [Latin] [INN]
N-((3S)-6-Bromo-5-(2-chlorophenyl)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-7-yl)-N'-(2-hydroxy-1-(hydroxymethyl)-1-methylethyl)urea
T4D9016A00
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5819 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 728.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 394.2±32.9 °C
Index of Refraction: 1.657
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.01
ACD/KOC (pH 5.5): 604.86
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.97
ACD/KOC (pH 7.4): 604.52
Polar Surface Area: 114 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 53.9±7.0 dyne/cm
Molar Volume: 339.6±7.0 cm3

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