ChemSpider 2D Image | N-{2,5-Diethoxy-4-[(4-methylbenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide | C31H30N4O4S

N-{2,5-Diethoxy-4-[(4-methylbenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide

  • Molecular FormulaC31H30N4O4S
  • Average mass554.659 Da
  • Monoisotopic mass554.198792 Da
  • ChemSpider ID2424292

More details:

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

1H-Thieno[2,3-c]pyrazole-5-carboxamide, N-[2,5-diethoxy-4-[(4-methylbenzoyl)amino]phenyl]-3-methyl-1-phenyl- [ACD/Index Name]
N-{2,5-Diethoxy-4-[(4-methylbenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
N-{2,5-Diethoxy-4-[(4-methylbenzoyl)amino]phenyl}-3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxamide [ACD/IUPAC Name]
N-{2,5-Diéthoxy-4-[(4-méthylbenzoyl)amino]phényl}-3-méthyl-1-phényl-1H-thiéno[2,3-c]pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

ASN 03433147 [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: 587.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.7±3.0 kJ/mol
Flash Point: 309.0±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 157.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 6.58
ACD/BCF (pH 5.5): 58536.27
ACD/KOC (pH 5.5): 89945.80
ACD/LogD (pH 7.4): 6.58
ACD/BCF (pH 7.4): 58572.14
ACD/KOC (pH 7.4): 90000.93
Polar Surface Area: 123 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 431.7±7.0 cm3

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