ChemSpider 2D Image | SNAP-7941 | C31H37F2N5O6

SNAP-7941

  • Molecular FormulaC31H37F2N5O6
  • Average mass613.652 Da
  • Monoisotopic mass613.271179 Da
  • ChemSpider ID9695027
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4S)-3-({3-[4-(3-Acétamidophényl)-1-pipéridinyl]propyl}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-[[[3-[4-[3-(acetylamino)phenyl]-1-piperidinyl]propyl]amino]carbonyl]-6-(3,4-difluorophenyl)-1,2,3,6-tetrahydro-4-(methoxymethyl)-2-oxo-, methyl ester, (6S)- [ACD/Index Name]
Methyl (4S)-3-({3-[4-(3-acetamidophenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl (4S)-3-[(3-{4-[3-(acetylamino)phenyl]piperidin-1-yl}propyl)carbamoyl]-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Methyl-(4S)-3-({3-[4-(3-acetamidophenyl)-1-piperidinyl]propyl}carbamoyl)-4-(3,4-difluorphenyl)-6-(methoxymethyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
SNAP-7941
(S)-3-{3-[4-(3-Acetylamino-phenyl)-piperidin-1-yl]-propylcarbamoyl}-4-(3,4-difluoro-phenyl)-6-methoxymethyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
(S)-methyl 1-((3-(4-(3-acetamidophenyl)piperidin-1-yl)propyl)carbamoyl)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1,2,3,6-tetrahydropyrimidine-5-carboxylate
387825-78-7 [RN]
5-PYRIMIDINECARBOXYLIC ACID, 1-[[[3-[4-[3-(ACETYLAMINO)PHENYL]-1-PIPERIDINYL]PROPYL]AMINO]CARBONYL]-6-( 3,4-DIFLUOROPHENYL)-1,2,3,6-TETRAHYDRO-4-(METHOXYMETHYL)-2-OXO-, METHYL ESTER, (6S)-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.572
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.02
ACD/LogD (pH 7.4): 1.88
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 48.53
Polar Surface Area: 129 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

Click to predict properties on the Chemicalize site






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