rel-(5aR,9aS)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0966 |
| Compound Name: | rel-(5aR,9aS)-7-[(2,3-dihydro-1-benzofuran-5-yl)methyl]-1-(ethanesulfonyl)decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 380.51 |
| Molecular Formula: | C19 H28 N2 O4 S |
| Smiles: | CCS(N1CCOC[C@H]2CN(CC[C@@H]12)Cc1ccc2c(CCO2)c1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4644 |
| logD: | 0.2569 |
| logSw: | -2.3595 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.551 |
| InChI Key: | UEZVEPVONITIGN-ROUUACIJSA-N |