rel-(5aR,9aR)-8-(benzenesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(benzenesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(benzenesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1941 |
| Compound Name: | rel-(5aR,9aR)-8-(benzenesulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C20 H25 N3 O3 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)S(c1ccccc1)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.4757 |
| logD: | 1.475 |
| logSw: | -1.7259 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.054 |
| InChI Key: | QQZAHRWVTOVNRI-QUCCMNQESA-N |