ChemSpider 2D Image | 4-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamide | C29H32Cl2N4O2S

4-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamide

  • Molecular FormulaC29H32Cl2N4O2S
  • Average mass571.561 Da
  • Monoisotopic mass570.162292 Da
  • ChemSpider ID3247361

More details:

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

4-Butoxy-N-({3-chlor-4-[4-(2-chlorbenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamid [German] [ACD/IUPAC Name]
4-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamide [ACD/IUPAC Name]
4-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-pipérazinyl]phényl}carbamothioyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-butoxy-N-[[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]amino]thioxomethyl]- [ACD/Index Name]
3-(4-BUTOXYBENZOYL)-1-(3-CHLORO-4-{4-[(2-CHLOROPHENYL)METHYL]PIPERAZIN-1-YL}PHENYL)THIOUREA

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: 1.650
Molar Refractivity: 159.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 4595.77
ACD/KOC (pH 5.5): 8130.61
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 28995.45
ACD/KOC (pH 7.4): 51297.35
Polar Surface Area: 89 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 437.7±3.0 cm3

Click to predict properties on the Chemicalize site


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