ethyl 6-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3741 |
| Compound Name: | ethyl 6-{[4-(benzenesulfonyl)piperazin-1-yl]methyl}-4-(3,5-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 558.65 |
| Molecular Formula: | C27 H34 N4 O7 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cc(cc(c2)OC)OC)NC(N(C)C=1CN1CCN(CC1)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3516 |
| logD: | 2.0377 |
| logSw: | -2.977 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.129 |
| InChI Key: | CJSQKCYQAOHDGO-RUZDIDTESA-N |