ChemSpider 2D Image | 4-Amino-N~5~-(2-chlorobenzyl)-N~5~-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)ethyl]-1,2-thiazole-3,5-dicarboxamide | C24H25ClN6O3S

4-Amino-N5-(2-chlorobenzyl)-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)ethyl]-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC24H25ClN6O3S
  • Average mass513.012 Da
  • Monoisotopic mass512.139709 Da
  • ChemSpider ID2431642

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[(2-chlorophenyl)methyl]-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)ethyl]- [ACD/Index Name]
4-Amino-N5-(2-chlorbenzyl)-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)ethyl]-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(2-chlorobenzyl)-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)ethyl]-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(2-chlorobenzyl)-N5-[2-(cyclopentylamino)-2-oxo-1-(4-pyridinyl)éthyl]-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 03888777 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 729.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 395.1±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.53
ACD/KOC (pH 5.5): 222.28
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 14.02
ACD/KOC (pH 7.4): 230.40
Polar Surface Area: 173 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 81.3±5.0 dyne/cm
Molar Volume: 352.2±5.0 cm3

Click to predict properties on the Chemicalize site


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