ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9758 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]methyl}-4-(2-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 581.52 |
| Molecular Formula: | C26 H30 Cl2 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2[Cl])NC(N(C)C=1CN1CCN(C(C)C1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0898 |
| logD: | 3.7884 |
| logSw: | -4.2687 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.037 |
| InChI Key: | GGJKVIQNRGEKDY-UHFFFAOYSA-N |