ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9020 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1-methyl-2-oxo-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 575.13 |
| Molecular Formula: | C28 H35 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4263 |
| logD: | 4.1124 |
| logSw: | -4.7424 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.041 |
| InChI Key: | PQZPAVNUJSRPIX-AREMUKBSSA-N |