ChemSpider 2D Image | N-{1-[7-(2-Hydroxy-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-3,5-dimethylbenzamide | C28H37N5O3

N-{1-[7-(2-Hydroxy-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-3,5-dimethylbenzamide

  • Molecular FormulaC28H37N5O3
  • Average mass491.625 Da
  • Monoisotopic mass491.289642 Da
  • ChemSpider ID22120443

More details:

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

Benzamide, 3,5-dimethyl-N-[3-methyl-1-[6,7,8,9-tetrahydro-7-[(2-hydroxy-3-methoxyphenyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]butyl]- [ACD/Index Name]
N-{1-[7-(2-Hydroxy-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-3,5-dimethylbenzamid [German] [ACD/IUPAC Name]
N-{1-[7-(2-Hydroxy-3-methoxybenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}-3,5-dimethylbenzamide [ACD/IUPAC Name]
N-{1-[7-(2-Hydroxy-3-méthoxybenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]-3-méthylbutyl}-3,5-diméthylbenzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.619
Molar Refractivity: 140.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 19.42
ACD/KOC (pH 5.5): 149.27
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 180.43
ACD/KOC (pH 7.4): 1386.87
Polar Surface Area: 93 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 401.1±7.0 cm3

Click to predict properties on the Chemicalize site


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