rel-(5aR,9aS)-7-[(1-ethyl-1H-indol-3-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-[(1-ethyl-1H-indol-3-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-[(1-ethyl-1H-indol-3-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: | SD14-0636 |
| Compound Name: | rel-(5aR,9aS)-7-[(1-ethyl-1H-indol-3-yl)methyl]-1-methyl-4-[(pyridin-3-yl)methyl]octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | CCn1cc(CN2CC[C@@H]3[C@H](C2)C(N(CC(N3C)=O)Cc2cccnc2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8576 |
| logD: | -2.5577 |
| logSw: | -1.645 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.613 |
| InChI Key: | VTBAVCZZZXDEEI-PKTZIBPZSA-N |