rel-(5aR,9aS)-1-benzyl-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0336 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(1H-indol-6-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 375.51 |
| Molecular Formula: | C24 H29 N3 O |
| Smiles: | C1CN(Cc2ccc3cc[nH]c3c2)C[C@@H]2COCCN(Cc3ccccc3)[C@H]12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3737 |
| logD: | 3.0581 |
| logSw: | -3.555 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.3394 |
| InChI Key: | FCXSQXQBCRWQEL-LADGPHEKSA-N |