rel-(5aR,9aS)-1,4-dimethyl-7-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Chemical Structure Depiction of
rel-(5aR,9aS)-1,4-dimethyl-7-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
rel-(5aR,9aS)-1,4-dimethyl-7-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione
Compound characteristics
| Compound ID: | SD14-0565 |
| Compound Name: | rel-(5aR,9aS)-1,4-dimethyl-7-({4-[(propan-2-yl)oxy]phenyl}methyl)octahydro-1H-pyrido[4,3-e][1,4]diazepine-2,5-dione |
| Molecular Weight: | 359.47 |
| Molecular Formula: | C20 H29 N3 O3 |
| Smiles: | CC(C)Oc1ccc(CN2CC[C@@H]3[C@H](C2)C(N(C)CC(N3C)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8656 |
| logD: | 0.619 |
| logSw: | -2.0229 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.156 |
| InChI Key: | SDIXLTZYINGWJG-MSOLQXFVSA-N |