ChemSpider 2D Image | N-{1-[7-(2-Ethylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxybenzamide | C22H33N5O2

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

  • Molecular FormulaC22H33N5O2
  • Average mass399.530 Da
  • Monoisotopic mass399.263428 Da
  • ChemSpider ID22142814

More details:






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

Benzamide, N-[1-[7-(2-ethylbutyl)-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]-3-methoxy- [ACD/Index Name]
N-{1-[7-(2-Ethylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxybenzamid [German] [ACD/IUPAC Name]
N-{1-[7-(2-Ethylbutyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}-3-methoxybenzamide [ACD/IUPAC Name]
N-{1-[7-(2-Éthylbutyl)-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl]éthyl}-3-méthoxybenzamide [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: 1.597
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.01
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 17.23
ACD/KOC (pH 7.4): 192.91
Polar Surface Area: 72 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 337.0±7.0 cm3

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