ChemSpider 2D Image | 2-[(3-Methoxyphenyl)amino]-2-oxoethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate | C27H22N4O5S

2-[(3-Methoxyphenyl)amino]-2-oxoethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate

  • Molecular FormulaC27H22N4O5S
  • Average mass514.552 Da
  • Monoisotopic mass514.131104 Da
  • ChemSpider ID1780177

More details:

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

2-[(3-Methoxyphenyl)amino]-2-oxoethyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate [ACD/IUPAC Name]
2-[(3-Methoxyphenyl)amino]-2-oxoethyl-4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoat [German] [ACD/IUPAC Name]
4-[5-Amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate de 2-[(3-méthoxyphényl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[5-amino-4-(2-benzothiazolyl)-2,3-dihydro-3-oxo-1H-pyrrol-1-yl]-, 2-[(3-methoxyphenyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

ZINC03266640 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.717
Molar Refractivity: 140.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.24
ACD/KOC (pH 5.5): 730.02
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.28
ACD/KOC (pH 7.4): 730.44
Polar Surface Area: 152 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 72.8±3.0 dyne/cm
Molar Volume: 357.7±3.0 cm3

Click to predict properties on the Chemicalize site


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