ethyl 4-(4-chlorophenyl)-6-{[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-6-{[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-6-{[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9101 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-6-{[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl}-1-ethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 489.01 |
| Molecular Formula: | C25 H33 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(C2CC2)=O)=C(C(c2ccc(cc2)[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1076 |
| logD: | 0.9585 |
| logSw: | -3.8293 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.792 |
| InChI Key: | BAFJZCMMFQCNCR-QFIPXVFZSA-N |