ChemSpider 2D Image | 1-(2-{[2,3-Dichloro-4-(2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl)phenyl]sulfanyl}phenyl)-3-piperidinecarboxylic acid | C29H33Cl2N3O4S

1-(2-{[2,3-Dichloro-4-(2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl)phenyl]sulfanyl}phenyl)-3-piperidinecarboxylic acid

  • Molecular FormulaC29H33Cl2N3O4S
  • Average mass590.561 Da
  • Monoisotopic mass589.156860 Da
  • ChemSpider ID8433313

More details:

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

1-(2-{[2,3-Dichlor-4-(2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl)phenyl]sulfanyl}phenyl)-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-(2-{[2,3-Dichloro-4-(2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl)phenyl]sulfanyl}phenyl)-3-piperidinecarboxylic acid [ACD/IUPAC Name]
1-(2-{[2,3-dichloro-4-(2-{[3-(2-oxopyrrolidin-1-yl)propyl]carbamoyl}cyclopropyl)phenyl]sulfanyl}phenyl)piperidine-3-carboxylic acid
3-Piperidinecarboxylic acid, 1-[2-[[2,3-dichloro-4-[2-[[[3-(2-oxo-1-pyrrolidinyl)propyl]amino]carbonyl]cyclopropyl]phenyl]thio]phenyl]- [ACD/Index Name]
Acide 1-(2-{[2,3-dichloro-4-(2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl)phényl]sulfanyl}phényl)-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-[2-(2,3-Dichloro-4-{2-[3-(2-oxo-pyrrolidin-1-yl)-propylcarbamoyl]-cyclopropyl}-phenylsulfanyl)-phenyl]-piperidine-3-carboxylic acid
CHEMBL369143
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL369143/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 802.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 438.9±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 155.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 116.96
ACD/KOC (pH 5.5): 526.88
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.47
ACD/KOC (pH 7.4): 15.66
Polar Surface Area: 115 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 414.4±5.0 cm3

Click to predict properties on the Chemicalize site


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