ChemSpider 2D Image | N-{1-[7-(4-Methoxy-2,3-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide | C23H35N5O2

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

  • Molecular FormulaC23H35N5O2
  • Average mass413.556 Da
  • Monoisotopic mass413.279083 Da
  • ChemSpider ID22142905

More details:

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

Acetamide, N-[3-methyl-1-[6,7,8,9-tetrahydro-7-[(4-methoxy-2,3-dimethylphenyl)methyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]butyl]- [ACD/Index Name]
N-{1-[7-(4-Methoxy-2,3-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamid [German] [ACD/IUPAC Name]
N-{1-[7-(4-Methoxy-2,3-dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]-3-methylbutyl}acetamide [ACD/IUPAC Name]
N-{1-[7-(4-Méthoxy-2,3-diméthylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]-3-méthylbutyl}acétamide [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: 1.593
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 30.97
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 47.90
ACD/KOC (pH 7.4): 520.21
Polar Surface Area: 72 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 40.3±7.0 dyne/cm
Molar Volume: 351.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement