ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1568 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 593.1 |
| Molecular Formula: | C27 H33 Cl N4 O7 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2OC)OC)NC(N(C)C=1CN1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0534 |
| logD: | 2.7395 |
| logSw: | -3.612 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.389 |
| InChI Key: | FQJRJMYISXMWIO-XMMPIXPASA-N |