ChemSpider 2D Image | 5-Chloro-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-4-pyrimidinecarboxamide | C19H26ClN7O

5-Chloro-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-4-pyrimidinecarboxamide

  • Molecular FormulaC19H26ClN7O
  • Average mass403.909 Da
  • Monoisotopic mass403.188751 Da
  • ChemSpider ID31812577

More details:

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

4-Pyrimidinecarboxamide, 5-chloro-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)propyl]- [ACD/Index Name]
5-Chlor-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Chloro-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propyl]-4-pyrimidinecarboxamide [ACD/IUPAC Name]
5-Chloro-2-(1-pyrrolidinyl)-N-[3-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)propyl]-4-pyrimidinecarboxamide [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: 1.716
Molar Refractivity: 108.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.64
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.36
ACD/KOC (pH 5.5): 434.52
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.23
ACD/KOC (pH 7.4): 445.53
Polar Surface Area: 89 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 276.0±7.0 cm3

Click to predict properties on the Chemicalize site


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