ChemSpider 2D Image | N-({7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)-3-(3-pyridinyl)propanamide | C23H25ClN6O3

N-({7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)-3-(3-pyridinyl)propanamide

  • Molecular FormulaC23H25ClN6O3
  • Average mass468.936 Da
  • Monoisotopic mass468.167664 Da
  • ChemSpider ID23053907

More details:

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

3-Pyridinepropanamide, N-[[7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-d][1,4]diazepin-3-yl]methyl]- [ACD/Index Name]
N-({7-[(6-Chlor-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)-3-(3-pyridinyl)propanamid [German] [ACD/IUPAC Name]
N-({7-[(6-Chloro-1,3-benzodioxol-5-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}methyl)-3-(3-pyridinyl)propanamide [ACD/IUPAC Name]
N-({7-[(6-Chloro-1,3-benzodioxol-5-yl)méthyl]-6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazépin-3-yl}méthyl)-3-(3-pyridinyl)propanamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.86
ACD/BCF (pH 5.5): 1.70
ACD/KOC (pH 5.5): 29.82
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.53
ACD/KOC (pH 7.4): 185.24
Polar Surface Area: 94 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 319.9±7.0 cm3

Click to predict properties on the Chemicalize site


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