ChemSpider 2D Image | 4-[(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide | C23H34N6O5S

4-[(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID8404627

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1H-Pyrazole-5-carboxamide, 4-[[5-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]sulfonyl]-2-ethoxybenzoyl]amino]-1-methyl-3-propyl- [ACD/Index Name]
4-[(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazol-5-carboxamid [German] [ACD/IUPAC Name]
4-[(5-{[(3R,5S)-3,5-Dimethyl-1-piperazinyl]sulfonyl}-2-ethoxybenzoyl)amino]-1-methyl-3-propyl-1H-pyrazole-5-carboxamide [ACD/IUPAC Name]
4-[(5-{[(3R,5S)-3,5-Diméthyl-1-pipérazinyl]sulfonyl}-2-éthoxybenzoyl)amino]-1-méthyl-3-propyl-1H-pyrazole-5-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.11
ACD/LogD (pH 5.5): -0.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 64.14
Polar Surface Area: 157 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 366.3±7.0 cm3

Click to predict properties on the Chemicalize site


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