ChemSpider 2D Image | N-{[5-(1-Benzofuran-2-yl)-2-thienyl]methyl}-N-(2,4-dichlorobenzoyl)-L-phenylalanine | C29H21Cl2NO4S

N-{[5-(1-Benzofuran-2-yl)-2-thienyl]methyl}-N-(2,4-dichlorobenzoyl)-L-phenylalanine

  • Molecular FormulaC29H21Cl2NO4S
  • Average mass550.452 Da
  • Monoisotopic mass549.056824 Da
  • ChemSpider ID394493

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-[[5-(2-benzofuranyl)-2-thienyl]methyl]-N-(2,4-dichlorobenzoyl)- [ACD/Index Name]
N-{[5-(1-Benzofuran-2-yl)-2-thienyl]methyl}-N-(2,4-dichlorbenzoyl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-{[5-(1-Benzofuran-2-yl)-2-thienyl]methyl}-N-(2,4-dichlorobenzoyl)-L-phenylalanine [ACD/IUPAC Name]
N-{[5-(1-Benzofuran-2-yl)-2-thiényl]méthyl}-N-(2,4-dichlorobenzoyl)-L-phénylalanine [French] [ACD/IUPAC Name]
(2s)-2-[(5-Benzofuran-2-Yl-Thiophen-2-Ylmethyl)-(2,4-Dichloro-Benzoyl)-Amino]-3-Phenyl-Propionic Acid
(2S)-2-[(5-Benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichlorobenzoyl)-amino]-3-phenyl-propionic acid
CHEMBL278785
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278785/

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

154 [DBID]
AIDS167796 [DBID]
AIDS-167796 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 753.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 409.2±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 147.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.39
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 2228.23
ACD/KOC (pH 5.5): 2134.06
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 82.54
ACD/KOC (pH 7.4): 79.05
Polar Surface Area: 99 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 389.7±3.0 cm3

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