ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9780 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 547.07 |
| Molecular Formula: | C26 H31 Cl N4 O5 S |
| Smiles: | CCOC(C1C(c2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4182 |
| logD: | 3.1168 |
| logSw: | -3.9276 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.037 |
| InChI Key: | XJJNIBYESNCMID-UHFFFAOYSA-N |