ethyl 1-ethyl-4-(2-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(2-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(2-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-3719 |
| Compound Name: | ethyl 1-ethyl-4-(2-fluorophenyl)-6-{[3-methyl-4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 558.67 |
| Molecular Formula: | C28 H35 F N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)S(c2ccc(C)cc2)(=O)=O)=C(C(c2ccccc2F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0536 |
| logD: | 3.809 |
| logSw: | -3.8449 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.996 |
| InChI Key: | NITSGBQBYXMNQV-UHFFFAOYSA-N |