rel-(5aR,9aR)-8-(ethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(ethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(ethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-2425 |
| Compound Name: | rel-(5aR,9aR)-8-(ethanesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C16 H25 N3 O3 S |
| Smiles: | CCS(N1CC[C@@H]2COCCN(Cc3cccnc3)[C@@H]2C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3147 |
| logD: | 0.3144 |
| logSw: | -1.466 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.22 |
| InChI Key: | NPMPIVHRNRODSJ-CVEARBPZSA-N |