Found 1 result

Search term: COUJFDKQCHWQLT-PCLMVKJGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-[(2R,5R)-2-(2,4-Dichlorophenyl)-5-(2-{[(1R)-1-(1-naphthyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[3-(1-piperidinyl)propyl]acetamide | C33H38Cl2N4O3S

2-[(2R,5R)-2-(2,4-Dichlorophenyl)-5-(2-{[(1R)-1-(1-naphthyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[3-(1-piperidinyl)propyl]acetamide

  • Molecular FormulaC33H38Cl2N4O3S
  • Average mass641.651 Da
  • Monoisotopic mass640.204163 Da
  • ChemSpider ID23138126

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(2R,5R)-2-(2,4-Dichlorophenyl)-5-(2-{[(1R)-1-(1-naphthyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[3-(1-piperidinyl)propyl]acetamide [ACD/IUPAC Name]
2-[(2R,5R)-2-(2,4-Dichlorophényl)-5-(2-{[(1R)-1-(1-naphtyl)éthyl]amino}-2-oxoéthyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[3-(1-pipéridinyl)propyl]acétamide [French] [ACD/IUPAC Name]
2-[(2R,5R)-2-(2,4-Dichlorphenyl)-5-(2-{[(1R)-1-(1-naphthyl)ethyl]amino}-2-oxoethyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[3-(1-piperidinyl)propyl]acetamid [German] [ACD/IUPAC Name]
3,5-Thiazolidinediacetamide, 2-(2,4-dichlorophenyl)-N5-[(1R)-1-(1-naphthalenyl)ethyl]-4-oxo-N3-[3-(1-piperidinyl)propyl]-, (2R,5R)- [ACD/Index Name]
2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-naphthalen-1-yl-ethylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-piperidin-1-yl-propyl)-acetamide
CHEMBL42334

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

Density: 1.3±0.1 g/cm3
Boiling Point: 895.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 495.3±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.39
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 10.57
ACD/KOC (pH 5.5): 25.94
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 136.01
ACD/KOC (pH 7.4): 333.92
Polar Surface Area: 107 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 502.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement