Found 238 results

Search term: MF = 'C_{27}H_{30}N_{2}O_{4}S_{2}'
ChemSpider 2D Image | Methyl 4-{[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxoethyl](2-thienylacetyl)amino}benzoate | C27H30N2O4S2

Methyl 4-{[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxoethyl](2-thienylacetyl)amino}benzoate

  • Molecular FormulaC27H30N2O4S2
  • Average mass510.668 Da
  • Monoisotopic mass510.164703 Da
  • ChemSpider ID2442381

More details:

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

4-{[2-(Cyclohexylamino)-1-(3-méthyl-2-thiényl)-2-oxoéthyl][2-(2-thiényl)acétyl]amino}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxoethyl][2-(2-thienyl)acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxoethyl](2-thienylacetyl)amino}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-(cyclohexylamino)-1-(3-methyl-2-thienyl)-2-oxoethyl](2-thienylacetyl)amino}benzoat [German] [ACD/IUPAC Name]
METHYL 4-{N-[(CYCLOHEXYLCARBAMOYL)(3-METHYLTHIOPHEN-2-YL)METHYL]-2-(THIOPHEN-2-YL)ACETAMIDO}BENZOATE

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

ASN 04884021 [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: 728.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.3±32.9 °C
Index of Refraction: 1.631
Molar Refractivity: 140.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4619.14
ACD/KOC (pH 5.5): 14611.19
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4619.14
ACD/KOC (pH 7.4): 14611.19
Polar Surface Area: 132 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 60.1±5.0 dyne/cm
Molar Volume: 393.3±5.0 cm3

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