ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-ethyl-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}-4-(4-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1625 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 595.54 |
| Molecular Formula: | C27 H32 Cl2 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)=C(C(c2ccc(cc2)[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4903 |
| logD: | 4.0933 |
| logSw: | -4.7042 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.331 |
| InChI Key: | JLDVTUYXIGZFEO-RUZDIDTESA-N |