ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[4-({2-[4-(dimethylamino)benzoyl]hydrazino}carbonyl)-1,3-thiazol-2-yl]-1-piperidinecarboxamide | C27H36N6O3S

N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[4-({2-[4-(dimethylamino)benzoyl]hydrazino}carbonyl)-1,3-thiazol-2-yl]-1-piperidinecarboxamide

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID3082790

More details:

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

4-Thiazolecarboxylic acid, 2-[1-[[[2-(1-cyclohexen-1-yl)ethyl]amino]carbonyl]-4-piperidinyl]-, 2-[4-(dimethylamino)benzoyl]hydrazide [ACD/Index Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[4-({2-[4-(dimethylamino)benzoyl]hydrazino}carbonyl)-1,3-thiazol-2-yl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-4-[4-({2-[4-(dimethylamino)benzoyl]hydrazino}carbonyl)-1,3-thiazol-2-yl]-1-piperidinecarboxamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-4-[4-({2-[4-(diméthylamino)benzoyl]hydrazino}carbonyl)-1,3-thiazol-2-yl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 826.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.1±3.0 kJ/mol
Flash Point: 453.7±34.3 °C
Index of Refraction: 1.614
Molar Refractivity: 146.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 219.17
ACD/KOC (pH 5.5): 1647.32
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 216.92
ACD/KOC (pH 7.4): 1630.45
Polar Surface Area: 135 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 421.3±3.0 cm3

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