ChemSpider 2D Image | (5-Chloro-2-methyl-4-pyrimidinyl){4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methanone | C19H26ClN7O

(5-Chloro-2-methyl-4-pyrimidinyl){4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methanone

  • Molecular FormulaC19H26ClN7O
  • Average mass403.909 Da
  • Monoisotopic mass403.188751 Da
  • ChemSpider ID30951855

More details:

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

(5-Chlor-2-methyl-4-pyrimidinyl){4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
(5-Chloro-2-methyl-4-pyrimidinyl){4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}methanone [ACD/IUPAC Name]
(5-Chloro-2-méthyl-4-pyrimidinyl){4-[4-méthyl-5-(1-pyrrolidinylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (5-chloro-2-methyl-4-pyrimidinyl)[4-[4-methyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
5-chloro-2-methyl-4-({4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}carbonyl)pyrimidine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 619.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 328.7±34.3 °C
Index of Refraction: 1.706
Molar Refractivity: 109.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): -1.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.42
Polar Surface Area: 80 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 56.8±7.0 dyne/cm
Molar Volume: 280.3±7.0 cm3

Click to predict properties on the Chemicalize site


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