ethyl 1-methyl-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V028-1200 |
| Compound Name: | ethyl 1-methyl-2-oxo-6-{[4-(phenylcarbamoyl)-1,4-diazepan-1-yl]methyl}-4-[4-(propan-2-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C30 H39 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)C)NC(N(C)C=1CN1CCCN(CC1)C(Nc1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0029 |
| logD: | 0.7264 |
| logSw: | -3.7893 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.131 |
| InChI Key: | XKALRBKBXSGJSP-HHHXNRCGSA-N |