ethyl 1-ethyl-4-(3-fluorophenyl)-2-oxo-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(3-fluorophenyl)-2-oxo-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(3-fluorophenyl)-2-oxo-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-4834 |
| Compound Name: | ethyl 1-ethyl-4-(3-fluorophenyl)-2-oxo-6-{[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C25 H29 F N4 O4 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(c2cccs2)=O)=C(C(c2cccc(c2)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1195 |
| logD: | 2.6863 |
| logSw: | -3.2649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.956 |
| InChI Key: | KNKBVLPPDBADNI-JOCHJYFZSA-N |