ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1593 |
| Compound Name: | ethyl 6-{[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(3-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 530.62 |
| Molecular Formula: | C26 H31 F N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)F)NC(N(C)C=1CN1CCN(C(C)C1)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8188 |
| logD: | 2.5174 |
| logSw: | -3.4089 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.037 |
| InChI Key: | IHUYVGAWOLYLAV-UHFFFAOYSA-N |