ChemSpider 2D Image | N-{1-[7-(3,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxypropanamide | C21H31N5O2

N-{1-[7-(3,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxypropanamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22128868

More details:

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

N-{1-[7-(3,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxypropanamid [German] [ACD/IUPAC Name]
N-{1-[7-(3,5-Dimethylbenzyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxypropanamide [ACD/IUPAC Name]
N-{1-[7-(3,5-Diméthylbenzyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}-3-méthoxypropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[1-[7-[(3,5-dimethylphenyl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxy- [ACD/Index 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: 1.603
Molar Refractivity: 110.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.00
ACD/LogD (pH 7.4): 1.59
ACD/BCF (pH 7.4): 8.68
ACD/KOC (pH 7.4): 147.16
Polar Surface Area: 72 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 43.2±7.0 dyne/cm
Molar Volume: 321.0±7.0 cm3

Click to predict properties on the Chemicalize site


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