rel-(5aR,9aS)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0030 |
| Compound Name: | rel-(5aR,9aS)-7-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C19 H27 N3 O4 |
| Smiles: | CCOc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3)=O)=O)cc1OC |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3142 |
| logD: | -1.4422 |
| logSw: | -2.1929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.853 |
| InChI Key: | STVKWJZNXSTTEZ-CABCVRRESA-N |