ChemSpider 2D Image | N~2~,N~2~-Dimethyl-N-(3-methyl-1-{7-[(5-methyl-2-thienyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}butyl)glycinamide | C21H32N6O2S

N2,N2-Dimethyl-N-(3-methyl-1-{7-[(5-methyl-2-thienyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}butyl)glycinamide

  • Molecular FormulaC21H32N6O2S
  • Average mass432.583 Da
  • Monoisotopic mass432.230743 Da
  • ChemSpider ID22192971

More details:

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

Acetamide, 2-(dimethylamino)-N-[3-methyl-1-[6,7,8,9-tetrahydro-7-[(5-methyl-2-thienyl)carbonyl]-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]butyl]- [ACD/Index Name]
N2,N2-Dimethyl-N-(3-methyl-1-{7-[(5-methyl-2-thienyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}butyl)glycinamid [German] [ACD/IUPAC Name]
N2,N2-Dimethyl-N-(3-methyl-1-{7-[(5-methyl-2-thienyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}butyl)glycinamide [ACD/IUPAC Name]
N2,N2-Diméthyl-N-(3-méthyl-1-{7-[(5-méthyl-2-thiényl)carbonyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}butyl)glycinamide [French] [ACD/IUPAC Name]
N2,N2-dimethyl-N1-(3-methyl-1-{7-[(5-methyl-2-thienyl)carbonyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}butyl)glycinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.641
Molar Refractivity: 121.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.09
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 102.57
Polar Surface Area: 112 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement