ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1600 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-(4-chlorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 506.04 |
| Molecular Formula: | C25 H36 Cl N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(N(C)C=1CN1CCCN(CC1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1174 |
| logD: | -0.7201 |
| logSw: | -3.7757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.548 |
| InChI Key: | PPWVWFMYGXMKKD-NRFANRHFSA-N |