Found 617 results

Search term: MF = 'C_{19}H_{22}Cl_{2}N_{4}O'
ChemSpider 2D Image | 2-(3,4-Dichlorophenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinyl]ethanone | C19H22Cl2N4O

2-(3,4-Dichlorophenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinyl]ethanone

  • Molecular FormulaC19H22Cl2N4O
  • Average mass393.310 Da
  • Monoisotopic mass392.117065 Da
  • ChemSpider ID25966977

More details:

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

2-(3,4-Dichlorophenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinyl]ethanone [ACD/IUPAC Name]
2-(3,4-Dichlorophényl)-1-[2-(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)-1-pyrrolidinyl]éthanone [French] [ACD/IUPAC Name]
2-(3,4-Dichlorphenyl)-1-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinyl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(3,4-dichlorophenyl)-1-[2-(6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepin-3-yl)-1-pyrrolidinyl]- [ACD/Index 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: 628.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 333.8±34.3 °C
Index of Refraction: 1.693
Molar Refractivity: 104.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 373.26
ACD/KOC (pH 5.5): 2408.14
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 376.15
ACD/KOC (pH 7.4): 2426.81
Polar Surface Area: 51 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 271.2±7.0 cm3

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