Ethyl (4R)-4-(2-Chloro-4-Fluorophenyl)-2-(4,5-Dihydro-1,3-Thiazol-2-Yl)-6-Methyl-1,4-Dihydro-5-Pyrimidinecarboxylate

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Properties Simple | Detailed

Formula C17H17ClFN3O2S
IUPAC Name ethyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(4,5-dihydrothiazol-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
Molecular Mass 381.852 g·mol−1
Heat of Formation -343.1 ± 16.7 kJ·mol−1
Dipole Moment 5.58 ± 1.08 D
Volume 412.46 Å 3
Surface Area 347.31 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(4,5-dihydrothiazol-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester
  • (4r)-4-(2-chloro-4-fluorophenyl)-2-(4,5-dihydrothiazol-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester
  • 5-pyrimidinecarboxylic acid, 4-(2-chloro-4-fluorophenyl)-2-(4,5-dihydro-2-thiazolyl)-1,4-dihydro-6-methyl-, ethyl ester, (4r)-
  • bay 39-5493
  • ethyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
  • ethyl (4r)-4-(2-chloro-4-fluoro-phenyl)-2-(4,5-dihydrothiazol-2-yl)-6-methyl-1,4-dihydropyrimidine-5-carboxylate
InChIKey SNCIIUAIZISCDE-AWEZNQCLSA-N
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