ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-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-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-3092 |
| Compound Name: | ethyl 6-{[4-(4-chlorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4-(4-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 587.14 |
| Molecular Formula: | C29 H35 Cl N4 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)NC(N(CC=C)C=1CN1CCCN(CC1)S(c1ccc(cc1)[Cl])(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5049 |
| logD: | 4.1771 |
| logSw: | -4.7668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.585 |
| InChI Key: | BQMFOXYSQDBMKG-HHHXNRCGSA-N |