ChemSpider 2D Image | Methyl 3-[{2-(cyclopentylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate | C30H33N3O6

Methyl 3-[{2-(cyclopentylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate

  • Molecular FormulaC30H33N3O6
  • Average mass531.599 Da
  • Monoisotopic mass531.236938 Da
  • ChemSpider ID2447558

More details:

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

3-[{2-(Cyclopentylamino)-1-[4-(4-morpholinyl)phényl]-2-oxoéthyl}(2-furoyl)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2-(cyclopentylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl](2-furanylcarbonyl)amino]-, methyl ester [ACD/Index Name]
Methyl 3-[{2-(cyclopentylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoate [ACD/IUPAC Name]
Methyl-3-[{2-(cyclopentylamino)-1-[4-(4-morpholinyl)phenyl]-2-oxoethyl}(2-furoyl)amino]benzoat [German] [ACD/IUPAC Name]
METHYL 3-{N-[(CYCLOPENTYLCARBAMOYL)[4-(MORPHOLIN-4-YL)PHENYL]METHYL]FURAN-2-AMIDO}BENZOATE

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

ASN 05256065 [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: 767.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 417.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 160.59
ACD/KOC (pH 5.5): 1295.88
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.07
ACD/KOC (pH 7.4): 1380.40
Polar Surface Area: 101 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement