ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9744 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 579.09 |
| Molecular Formula: | C27 H32 Cl F N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)=C(C(c2ccc(cc2)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9247 |
| logD: | 3.5277 |
| logSw: | -4.6056 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.331 |
| InChI Key: | XQBGCOIEVWHJLQ-RUZDIDTESA-N |