ChemSpider 2D Image | 1-[(1-{[1-(2,4-Dichlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]urea | C21H23Cl2N5O2S

1-[(1-{[1-(2,4-Dichlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]urea

  • Molecular FormulaC21H23Cl2N5O2S
  • Average mass480.411 Da
  • Monoisotopic mass479.094940 Da
  • ChemSpider ID30495098

More details:

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

1-[(1-{[1-(2,4-Dichlorbenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[(1-{[1-(2,4-Dichlorobenzyl)-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]urea [ACD/IUPAC Name]
1-[(1-{[1-(2,4-Dichlorobenzyl)-3-méthyl-1H-thiéno[2,3-c]pyrazol-5-yl]carbonyl}-4-pipéridinyl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[[1-[[1-[(2,4-dichlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl]-4-piperidinyl]methyl]- [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: 681.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.726
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 385.41
ACD/KOC (pH 5.5): 2469.38
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 385.48
ACD/KOC (pH 7.4): 2469.82
Polar Surface Area: 121 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 61.8±7.0 dyne/cm
Molar Volume: 310.9±7.0 cm3

Click to predict properties on the Chemicalize site


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