rel-(5aR,9aS)-7-[(5-ethylfuran-2-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(5-ethylfuran-2-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-7-[(5-ethylfuran-2-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0647 |
| Compound Name: | rel-(5aR,9aS)-7-[(5-ethylfuran-2-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C22 H28 N4 O3 |
| Smiles: | CCc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5594 |
| logD: | -0.9891 |
| logSw: | -1.2958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.896 |
| InChI Key: | ZWQLWLOHDOYTHP-UXHICEINSA-N |