Methyl (4S)-4-(3,4-Difluorophenyl)-6-(Methoxymethyl)-2-Oxo-3-({3-[4-(2-Pyridinyl)-1-Piperidinyl]Propyl}Carbamoyl)-1,2,3,4-Tetrahydro-5-Pyrimidinecarboxylate

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Properties Simple | Detailed

Formula C28H33F2N5O5
IUPAC Name methyl (4s)-4-(3,4-difluorophenyl)-6-(methoxymethyl)-2-oxo-3-[3-[4-(2-pyridyl)-1-piperidyl]propylcarbamoyl]-1,4-dihydropyrimidine-5-carboxylate
Molecular Mass 557.589 g·mol−1
Heat of Formation -1016.0 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 666.76 Å 3
Surface Area 509.25 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-(3,4-difluorophenyl)-2-keto-4-(methoxymethyl)-1-[3-[4-(2-pyridyl)-1-piperidyl]propylcarbamoyl]-3,6-dihydropyrimidine-5-carboxylic acid methyl ester
  • (6s)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1-[oxo-[3-[4-(2-pyridyl)-1-piperidinyl]propylamino]methyl]-3,6-dihydropyrimidine-5-carboxylic acid methyl ester
  • methyl (6s)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1-[3-(4-pyridin-2-ylpiperidin-1-yl)propylcarbamoyl]-3,6-dihydropyrimidine-5-carboxylate
  • methyl (6s)-6-(3,4-difluorophenyl)-4-(methoxymethyl)-2-oxo-1-[3-[4-(2-pyridyl)-1-piperidyl]propylcarbamoyl]-3,6-dihydropyrimidine-5-carboxylate
InChIKey FFXFCSQUTLDLAR-VWLOTQADSA-N
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