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

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

  • Molecular FormulaC29H32Cl2N4O2S
  • Average mass571.561 Da
  • Monoisotopic mass570.162292 Da
  • ChemSpider ID2581094

More details:

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

3-Butoxy-N-({3-chlor-4-[4-(2-chlorbenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamid [German] [ACD/IUPAC Name]
3-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-piperazinyl]phenyl}carbamothioyl)benzamide [ACD/IUPAC Name]
3-Butoxy-N-({3-chloro-4-[4-(2-chlorobenzyl)-1-pipérazinyl]phényl}carbamothioyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-butoxy-N-[[[3-chloro-4-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]phenyl]amino]thioxomethyl]- [ACD/Index Name]
3-(3-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): 5.37
ACD/BCF (pH 5.5): 4255.21
ACD/KOC (pH 5.5): 7529.58
ACD/LogD (pH 7.4): 6.12
ACD/BCF (pH 7.4): 23912.65
ACD/KOC (pH 7.4): 42313.38
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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