ChemSpider 2D Image | 1-[(3-Amino-2H-indazol-5-yl)methyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazepan-2-one | C31H37N5O3

1-[(3-Amino-2H-indazol-5-yl)methyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazepan-2-one

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID21224785

More details:

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

1-[(3-Amino-2H-indazol-5-yl)methyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazepan-2-on [German] [ACD/IUPAC Name]
1-[(3-Amino-2H-indazol-5-yl)methyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazepan-2-one [ACD/IUPAC Name]
1-[(3-Amino-2H-indazol-5-yl)méthyl]-4,7-dibenzyl-3-butyl-5,6-dihydroxy-1,3-diazépan-2-one [French] [ACD/IUPAC Name]
2H-1,3-Diazepin-2-one, 1-[(3-amino-2H-indazol-5-yl)methyl]-3-butylhexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.675
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 166.31
ACD/KOC (pH 5.5): 1003.58
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 465.03
ACD/KOC (pH 7.4): 2806.13
Polar Surface Area: 119 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 67.6±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

Click to predict properties on the Chemicalize site


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