ethyl 4-(4-chlorophenyl)-1-methyl-2-oxo-6-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-1-methyl-2-oxo-6-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-1-methyl-2-oxo-6-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V017-0743 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-1-methyl-2-oxo-6-[(4-propanoyl-1,4-diazepan-1-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C23 H31 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(N1CCCN(CC1)CC1=C(C(c2ccc(cc2)[Cl])NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3028 |
| logD: | 0.112 |
| logSw: | -3.5631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.054 |
| InChI Key: | RCWBAJQBXVJYOW-NRFANRHFSA-N |