ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1596 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C27 H33 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)=C(C(c2ccc(cc2)[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.088 |
| logD: | 3.8288 |
| logSw: | -4.6697 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84 |
| InChI Key: | XLMKTFUFKWNXDY-VWLOTQADSA-N |