ethyl 6-{[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V027-1112 |
| Compound Name: | ethyl 6-{[4-(benzenesulfonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-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(CN2CCCN(CC2)S(c2ccccc2)(=O)=O)=C(C(c2cccc(c2)Oc2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8573 |
| logD: | 4.4603 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.079 |
| InChI Key: | UYVVDNZSARBZSQ-WJOKGBTCSA-N |