(6S)-3-[1-(4-Fluorobenzyl)-4-Piperidinyl]-5-(Isopropoxycarbonyl)-4-Methyl-2-Thioxo-6-[2-(Trifluoromethyl)Phenyl]-3,6-Dihydro-1(2H)-Pyrimidinecarboxylic Acid

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Properties Simple | Detailed

Formula C29H31F4N3O4S
IUPAC Name (4s)-1-[1-[(4-fluorobenzene-3,5-diid-1-yl)methyl]-4-piperidyl]-6-methyl-5-(1-methylethoxycarbonyl)-2-thioxo-4-[2-(trifluoromethyl)benzene-3,4,5-triid-1-yl]-4h-pyrimidine-3-carboxylate
Molecular Mass 593.633 g·mol−1
Heat of Formation -1293.4 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 663.84 Å 3
Surface Area 506.54 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-3-[1-(4-fluorobenzyl)-4-piperidyl]-5-isopropoxycarbonyl-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-6h-pyrimidine-1-carboxylic acid
  • (6s)-3-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-5-(isopropoxy-oxomethyl)-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-6h-pyrimidine-1-carboxylic acid
  • (6s)-3-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-5-isopropoxycarbonyl-4-methyl-2-thioxo-6-[2-(trifluoromethyl)phenyl]-6h-pyrimidine-1-carboxylic acid
  • (6s)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methyl-5-propan-2-yloxycarbonyl-2-sulfanylidene-6-[2-(trifluoromethyl)phenyl]-6h-pyrimidine-1-carboxylic acid
  • 1,5(2h)-pyrimidinedicarboxylic acid, 3,6-dihydro-4-methyl-2-thioxo-6-(2-(trifluoromethyl)phenyl)-, 1-(1-((4-fluoropohenyl)emthyl)-4-piperidinyl) 5-(1-methylethyl) ester, (s)-
  • 3,6-dihydro-4-methyl-2-thioxo-6-(2-trifluoromethylphenyl)-1,5(2h)-pyrimidinedicarboxylic acid, 1-(1-((4-fluorophenyl)methyl)-4-piperidinyl) 5-(1-methylethyl) ester
  • dtpfpm
  • dtpfpm, (s(-))-
CAS Number(s)
  • 142930-38-9
InChIKey RBVWAVPYRBMIOS-VWLOTQADSA-N
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