Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | Ethyl 4-{[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl](2-thienylacetyl)amino}benzoate | C27H30N2O4S2

Ethyl 4-{[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl](2-thienylacetyl)amino}benzoate

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID2436232

More details:

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

4-{[2-(Cyclohexylamino)-2-oxo-1-(2-thiényl)éthyl][2-(2-thiényl)acétyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl][2-(2-thienyl)acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl](2-thienylacetyl)amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[2-(cyclohexylamino)-2-oxo-1-(2-thienyl)ethyl](2-thienylacetyl)amino}benzoat [German] [ACD/IUPAC Name]
ETHYL 4-{N-[(CYCLOHEXYLCARBAMOYL)(THIOPHEN-2-YL)METHYL]-2-(THIOPHEN-2-YL)ACETAMIDO}BENZOATE

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

ASN 04363722 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 392.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4462.30
ACD/KOC (pH 5.5): 14254.35
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4462.30
ACD/KOC (pH 7.4): 14254.35
Polar Surface Area: 132 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 393.8±5.0 cm3

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