Found 1 result

Search term: JWAHBXONODWUEH-CTWZREHQSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (4S)-3-({(1S,3R)-3-[4-(2-cyanophenyl)-1-piperidinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C32H35F2N5O5

Methyl (4S)-3-({(1S,3R)-3-[4-(2-cyanophenyl)-1-piperidinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC32H35F2N5O5
  • Average mass607.648 Da
  • Monoisotopic mass607.260620 Da
  • ChemSpider ID23150578

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-3-({(1S,3R)-3-[4-(2-Cyanophényl)-1-pipéridinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophényl)-6-(méthoxyméthyl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-[[[(1S,3R)-3-[4-(2-cyanophenyl)-1-piperidinyl]cyclopentyl]amino]carbonyl]-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-, methyl ester, (6S)- [ACD/Index Name]
Methyl (4S)-3-({(1S,3R)-3-[4-(2-cyanophenyl)-1-piperidinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-3-({(1S,3R)-3-[4-(2-cyanphenyl)-1-piperidinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-{(1S,3R)-3-[4-(2-Cyano-phenyl)-piperidin-1-yl]-cyclopentylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL292365
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL292365/

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: 1.619
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.38
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 9.16
ACD/KOC (pH 7.4): 64.08
Polar Surface Area: 124 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 445.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement