rel-(5aR,9aS)-7-acetyl-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-acetyl-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-acetyl-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0790 |
| Compound Name: | rel-(5aR,9aS)-7-acetyl-4-benzyl-1-methyloctahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C18 H23 N3 O3 |
| Smiles: | CC(N1CC[C@@H]2[C@H](C1)C(N(CC(N2C)=O)Cc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.167 |
| logD: | -0.167 |
| logSw: | -1.8131 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.021 |
| InChI Key: | ZVIADLKUZKCSRD-CVEARBPZSA-N |