rel-(5aR,9aS)-4-methyl-7-[(5-methylfuran-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-4-methyl-7-[(5-methylfuran-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-4-methyl-7-[(5-methylfuran-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0039 |
| Compound Name: | rel-(5aR,9aS)-4-methyl-7-[(5-methylfuran-2-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 291.35 |
| Molecular Formula: | C15 H21 N3 O3 |
| Smiles: | Cc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1547 |
| logD: | -0.9621 |
| logSw: | -2.0306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.276 |
| InChI Key: | DCHJOLYGQGELDN-OLZOCXBDSA-N |