ChemSpider 2D Image | 2-{[(1-Benzyl-4-piperidinyl)(cyclopropyl)carbamoyl]amino}-N-{2-[4-(methylsulfonyl)phenyl]ethyl}benzamide | C32H38N4O4S

2-{[(1-Benzyl-4-piperidinyl)(cyclopropyl)carbamoyl]amino}-N-{2-[4-(methylsulfonyl)phenyl]ethyl}benzamide

  • Molecular FormulaC32H38N4O4S
  • Average mass574.734 Da
  • Monoisotopic mass574.261353 Da
  • ChemSpider ID2583855

More details:

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

2-{[(1-Benzyl-4-piperidinyl)(cyclopropyl)carbamoyl]amino}-N-{2-[4-(methylsulfonyl)phenyl]ethyl}benzamid [German] [ACD/IUPAC Name]
2-{[(1-Benzyl-4-piperidinyl)(cyclopropyl)carbamoyl]amino}-N-{2-[4-(methylsulfonyl)phenyl]ethyl}benzamide [ACD/IUPAC Name]
2-{[(1-Benzyl-4-pipéridinyl)(cyclopropyl)carbamoyl]amino}-N-{2-[4-(méthylsulfonyl)phényl]éthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[[[cyclopropyl[1-(phenylmethyl)-4-piperidinyl]amino]carbonyl]amino]-N-[2-[4-(methylsulfonyl)phenyl]ethyl]- [ACD/Index Name]
N-(1-Benzylpiperidin-4-yl)-N-cyclopropyl-N'-[2-(((2-(4-(methylsulfonyl)phenyl)ethyl)amino)carbonyl)phenyl]urea

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

Peakdale1_002189 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 819.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.4±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 161.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.43
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 2.46
ACD/KOC (pH 5.5): 14.76
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 123.55
ACD/KOC (pH 7.4): 742.44
Polar Surface Area: 107 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 64.3±5.0 dyne/cm
Molar Volume: 439.6±5.0 cm3

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