Found 22 results

Search term: MF = 'C_{32}H_{31}ClN_{2}O_{7}'
ChemSpider 2D Image | 3-[({11-[4-(Benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}carbonyl)oxy]propanoic acid | C32H31ClN2O7

3-[({11-[4-(Benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}carbonyl)oxy]propanoic acid

  • Molecular FormulaC32H31ClN2O7
  • Average mass591.051 Da
  • Monoisotopic mass590.182007 Da
  • ChemSpider ID34547627

More details:

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

10H-Dibenzo[b,e][1,4]diazepine-10-carboxylic acid, 11-[2-chloro-4-(phenylmethoxy)phenyl]-1,2,3,4,5,11-hexahydro-6-hydroxy-3,3-dimethyl-1-oxo-, 2-carboxyethyl ester [ACD/Index Name]
3-[({11-[4-(Benzyloxy)-2-chlorophenyl]-6-hydroxy-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}carbonyl)oxy]propanoic acid [ACD/IUPAC Name]
3-[({11-[4-(Benzyloxy)-2-chlorphenyl]-6-hydroxy-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl}carbonyl)oxy]propansäure [German] [ACD/IUPAC Name]
Acide 3-[({11-[4-(benzyloxy)-2-chlorophényl]-6-hydroxy-3,3-diméthyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazépin-10-yl}carbonyl)oxy]propanoïque [French] [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: 765.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.7±32.9 °C
Index of Refraction: 1.677
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 387.18
ACD/KOC (pH 5.5): 890.90
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 7.45
ACD/KOC (pH 7.4): 17.13
Polar Surface Area: 125 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 72.1±5.0 dyne/cm
Molar Volume: 413.3±5.0 cm3

Click to predict properties on the Chemicalize site


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