Found 1 result

Search term: SOUVKJLYRGDDOT-VPYPWEPUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (4S)-3-({(1S,3S)-3-[4-(2-cyanophenyl)-1-piperazinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C31H34F2N6O5

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

  • Molecular FormulaC31H34F2N6O5
  • Average mass608.636 Da
  • Monoisotopic mass608.255859 Da
  • ChemSpider ID23119121

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S)-3-({(1S,3S)-3-[4-(2-Cyanophényl)-1-pipérazinyl]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,3S)-3-[4-(2-cyanophenyl)-1-piperazinyl]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,3S)-3-[4-(2-cyanophenyl)-1-piperazinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-(4S)-3-({(1S,3S)-3-[4-(2-cyanphenyl)-1-piperazinyl]cyclopentyl}carbamoyl)-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
(S)-3-{(1S,3S)-3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-cyclopentylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
CHEMBL278716
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL278716/
methyl (4S)-3-({(1S,3S)-3-[4-(2-cyanophenyl)piperazin-1-yl]cyclopentyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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: 1.634
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 5.92
ACD/KOC (pH 5.5): 57.39
ACD/LogD (pH 7.4): 2.80
ACD/BCF (pH 7.4): 75.91
ACD/KOC (pH 7.4): 736.07
Polar Surface Area: 127 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 65.5±5.0 dyne/cm
Molar Volume: 435.3±5.0 cm3

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