Found 116 results

Search term: MF = 'C_{27}H_{25}Cl_{2}N_{3}O_{3}S'
ChemSpider 2D Image | N-{[5-(5-sec-Butyl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-3-chloro-4-ethoxybenzamide | C27H25Cl2N3O3S

N-{[5-(5-sec-Butyl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-3-chloro-4-ethoxybenzamide

  • Molecular FormulaC27H25Cl2N3O3S
  • Average mass542.477 Da
  • Monoisotopic mass541.099365 Da
  • ChemSpider ID3864616

More details:

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

Benzamide, 3-chloro-N-[[[2-chloro-5-[5-(1-methylpropyl)-2-benzoxazolyl]phenyl]amino]thioxomethyl]-4-ethoxy- [ACD/Index Name]
N-{[5-(5-sec-Butyl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl}-3-chloro-4-ethoxybenzamide [ACD/IUPAC Name]
N-{[5-(5-sec-Butyl-1,3-benzoxazol-2-yl)-2-chlorophényl]carbamothioyl}-3-chloro-4-éthoxybenzamide [French] [ACD/IUPAC Name]
N-{[5-(5-sec-Butyl-1,3-benzoxazol-2-yl)-2-chlorphenyl]carbamothioyl}-3-chlor-4-ethoxybenzamid [German] [ACD/IUPAC Name]

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: 1.658
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 6.76
ACD/BCF (pH 5.5): 81287.48
ACD/KOC (pH 5.5): 113683.00
ACD/LogD (pH 7.4): 6.65
ACD/BCF (pH 7.4): 62946.99
ACD/KOC (pH 7.4): 88033.27
Polar Surface Area: 108 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 405.0±3.0 cm3

Click to predict properties on the Chemicalize site


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