ethyl 1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-5880 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 618.75 |
| Molecular Formula: | C33 H38 N4 O6 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)=C(C(c2cccc(c2)Oc2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2347 |
| logD: | 4.981 |
| logSw: | -5.0165 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.748 |
| InChI Key: | OURKHMCJMWNHFO-WJOKGBTCSA-N |