Found 36 results

Search term: MF = 'C_{25}H_{23}ClN_{4}O_{5}S_{2}'
ChemSpider 2D Image | Ethyl 6-benzyl-2-{[(2-chloro-4-nitrobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C25H23ClN4O5S2

Ethyl 6-benzyl-2-{[(2-chloro-4-nitrobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC25H23ClN4O5S2
  • Average mass559.057 Da
  • Monoisotopic mass558.079834 Da
  • ChemSpider ID2679554

More details:

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

6-Benzyl-2-{[(2-chloro-4-nitrobenzoyl)carbamothioyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-benzyl-2-{[(2-chloro-4-nitrobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-benzyl-2-{[(2-chlor-4-nitrobenzoyl)carbamothioyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 2-[[[(2-chloro-4-nitrobenzoyl)amino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-(phenylmethyl)-, ethyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 4.64
ACD/BCF (pH 5.5): 1240.96
ACD/KOC (pH 5.5): 3280.59
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 442.59
ACD/KOC (pH 7.4): 1170.02
Polar Surface Area: 177 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 382.5±3.0 cm3

Click to predict properties on the Chemicalize site


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