ChemSpider 2D Image | 3-{[4-(4-Methyl-1-piperazinyl)benzoyl]amino}-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide | C27H30N6O2S

3-{[4-(4-Methyl-1-piperazinyl)benzoyl]amino}-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide

  • Molecular FormulaC27H30N6O2S
  • Average mass502.631 Da
  • Monoisotopic mass502.215088 Da
  • ChemSpider ID10021352

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Thieno[3,2-c]pyrazole-5-carboxamide, 3-[[4-(4-methyl-1-piperazinyl)benzoyl]amino]-N-[(1R)-1-phenylpropyl]- [ACD/Index Name]
3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide
3-{[4-(4-Methyl-1-piperazinyl)benzoyl]amino}-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
3-{[4-(4-Methyl-1-piperazinyl)benzoyl]amino}-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
3-{[4-(4-Méthyl-1-pipérazinyl)benzoyl]amino}-N-[(1R)-1-phénylpropyl]-1H-thiéno[3,2-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

400 [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: 716.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 386.9±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 145.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.94
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 26.53
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 201.65
ACD/KOC (pH 7.4): 1185.26
Polar Surface Area: 122 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 64.9±3.0 dyne/cm
Molar Volume: 381.6±3.0 cm3

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