rel-(5aR,9aS)-1-benzyl-7-[(4-chlorophenyl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-1-benzyl-7-[(4-chlorophenyl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-1-benzyl-7-[(4-chlorophenyl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0295 |
| Compound Name: | rel-(5aR,9aS)-1-benzyl-7-[(4-chlorophenyl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 370.92 |
| Molecular Formula: | C22 H27 Cl N2 O |
| Smiles: | C1CN(Cc2ccc(cc2)[Cl])C[C@@H]2COCCN(Cc3ccccc3)[C@H]12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7759 |
| logD: | 3.6271 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 15.5582 |
| InChI Key: | HLDWZQWOSZQHJA-RBBKRZOGSA-N |