ethyl 1-ethyl-4-(2-fluorophenyl)-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(2-fluorophenyl)-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(2-fluorophenyl)-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V019-3718 |
Compound Name: | ethyl 1-ethyl-4-(2-fluorophenyl)-6-({3-methyl-4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 576.59 |
Molecular Formula: | C29 H32 F4 N4 O4 |
Salt: | not_available |
Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccc(cc2)C(F)(F)F)=O)=C(C(c2ccccc2F)NC1=O)C(=O)OCC |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.5485 |
logD: | 4.1187 |
logSw: | -4.0955 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.156 |
InChI Key: | XJFWXWKPZZQHAA-UHFFFAOYSA-N |