ChemSpider 2D Image | 4-(3-{1-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-1-phenyl-2-pyrrolidinone | C25H25N7O3

4-(3-{1-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-1-phenyl-2-pyrrolidinone

  • Molecular FormulaC25H25N7O3
  • Average mass471.511 Da
  • Monoisotopic mass471.201874 Da
  • ChemSpider ID29116323

More details:






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

2-Pyrrolidinone, 4-[3-[1-[3-oxo-3-(1-pyrrolidinyl)propyl]-1H-1,2,3-benzotriazol-5-yl]-1,2,4-oxadiazol-5-yl]-1-phenyl- [ACD/Index Name]
4-(3-{1-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-1-phenyl-2-pyrrolidinon [German] [ACD/IUPAC Name]
4-(3-{1-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-1-phenyl-2-pyrrolidinone [ACD/IUPAC Name]
4-(3-{1-[3-Oxo-3-(1-pyrrolidinyl)propyl]-1H-benzotriazol-5-yl}-1,2,4-oxadiazol-5-yl)-1-phényl-2-pyrrolidinone [French] [ACD/IUPAC Name]
N-[2-(2-methoxybenzoyl)-3-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]propanamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 816.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.7±3.0 kJ/mol
Flash Point: 447.7±37.1 °C
Index of Refraction: 1.758
Molar Refractivity: 129.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.10
ACD/KOC (pH 5.5): 219.48
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.10
ACD/KOC (pH 7.4): 219.48
Polar Surface Area: 110 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 66.8±7.0 dyne/cm
Molar Volume: 315.7±7.0 cm3

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