ChemSpider 2D Image | Methyl 4-{[(4-{[4-(diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)carbamothioyl]amino}-4-oxobutanoate | C29H32N4O5S2

Methyl 4-{[(4-{[4-(diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)carbamothioyl]amino}-4-oxobutanoate

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID4128032

More details:

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

4-{[(4-{[4-(Diphénylméthyl)-1-pipérazinyl]sulfonyl}phényl)carbamothioyl]amino}-4-oxobutanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[[4-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]phenyl]amino]thioxomethyl]amino]-4-oxo-, methyl ester [ACD/Index Name]
Methyl 4-{[(4-{[4-(diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)carbamothioyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
Methyl-4-{[(4-{[4-(diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)carbamothioyl]amino}-4-oxobutanoat [German] [ACD/IUPAC Name]
methyl 4-({[(4-{[4-(diphenylmethyl)-1-piperazinyl]sulfonyl}phenyl)amino]carbonothioyl}amino)-4-oxobutanoate
METHYL 4-[({4-[4-(DIPHENYLMETHYL)PIPERAZIN-1-YLSULFONYL]PHENYL}CARBAMOTHIOYL)AMINO]-4-OXOBUTANOATE
METHYL 4-{[(4-{[4-(DIPHENYLMETHYL)PIPERAZIN-1-YL]SULFONYL}PHENYL)CARBAMOTHIOYL]AMINO}-4-OXOBUTANOATE

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 158.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 258.37
ACD/KOC (pH 5.5): 1798.20
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.12
ACD/KOC (pH 7.4): 1928.69
Polar Surface Area: 149 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 434.4±3.0 cm3

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