Methyl (4R)-4-(2-Chloro-4-Fluorophenyl)-2-(3,5-Difluoro-2-Pyridinyl)-6-Methyl-1,4-Dihydro-5-Pyrimidinecarboxylate

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Properties Simple | Detailed

Formula C18H13ClF3N3O2
IUPAC Name methyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Molecular Mass 395.763 g·mol−1
Heat of Formation -595.6 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 419.14 Å 3
Surface Area 357.66 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
  • (4r)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid methyl ester
  • 5-pyrimidinecarboxylic acid, 4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoro-2-pyridinyl)-1,4-dihydro-6-methyl-, methyl ester, (4r)-
  • bay 41-4109
  • bay41-4109
  • methyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoro-2-pyridyl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
  • methyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
  • methyl (4r)-4-(2-chloro-4-fluorophenyl)-2-(3,5-difluoropyridin-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
InChIKey FVNJBPMQWSIGJK-HNNXBMFYSA-N
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Elements C F H Cl O N