ChemSpider 2D Image | JD5037 | C27H27Cl2N5O3S

JD5037

  • Molecular FormulaC27H27Cl2N5O3S
  • Average mass572.506 Da
  • Monoisotopic mass571.121155 Da
  • ChemSpider ID28663876
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(E)-N2-([(4S)-3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorophenyl)sulfonyl]amino}methylene)-L-valinamide [ACD/IUPAC Name]
(E)-N2-([(4S)-3-(4-Chlorophényl)-4-phényl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorophényl)sulfonyl]amino}méthylène)-L-valinamide [French] [ACD/IUPAC Name]
(E)-N2-([(4S)-3-(4-Chlorphenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]{[(4-chlorphenyl)sulfonyl]amino}methylen)-L-valinamid [German] [ACD/IUPAC Name]
Butanamide, 2-[[(E)-[(4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl][[(4-chlorophenyl)sulfonyl]imino]methyl]amino]-3-methyl-, (2S)- [ACD/Index Name]
JD5037 [Wiki]
(2S)-2-[[[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-3-methylbutanamide
1392116-14-1 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 731.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.1±35.7 °C
Index of Refraction: 1.662
Molar Refractivity: 151.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.58
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 596.30
ACD/KOC (pH 5.5): 3375.03
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 596.30
ACD/KOC (pH 7.4): 3375.04
Polar Surface Area: 126 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 408.7±7.0 cm3

Click to predict properties on the Chemicalize site





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