ChemSpider 2D Image | (3R)-N-(3-Chloro-4-hydroxyphenyl)-1-(2-{4-[4-(2-methoxy-5-pyrimidinyl)phenyl]-1-piperazinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide | C28H31ClN6O4

(3R)-N-(3-Chloro-4-hydroxyphenyl)-1-(2-{4-[4-(2-methoxy-5-pyrimidinyl)phenyl]-1-piperazinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide

  • Molecular FormulaC28H31ClN6O4
  • Average mass551.036 Da
  • Monoisotopic mass550.209534 Da
  • ChemSpider ID58985019

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-N-(3-Chlor-4-hydroxyphenyl)-1-(2-{4-[4-(2-methoxy-5-pyrimidinyl)phenyl]-1-piperazinyl}-2-oxoethyl)-3-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
(3R)-N-(3-Chloro-4-hydroxyphenyl)-1-(2-{4-[4-(2-methoxy-5-pyrimidinyl)phenyl]-1-piperazinyl}-2-oxoethyl)-3-pyrrolidinecarboxamide [ACD/IUPAC Name]
(3R)-N-(3-Chloro-4-hydroxyphényl)-1-(2-{4-[4-(2-méthoxy-5-pyrimidinyl)phényl]-1-pipérazinyl}-2-oxoéthyl)-3-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxamide, N-(3-chloro-4-hydroxyphenyl)-1-[2-[4-[4-(2-methoxy-5-pyrimidinyl)phenyl]-1-piperazinyl]-2-oxoethyl]-, (3R)- [ACD/Index Name]

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: 1.648
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.14
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 9.40
ACD/KOC (pH 7.4): 130.46
Polar Surface Area: 111 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 404.5±3.0 cm3

Click to predict properties on the Chemicalize site


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