rel-(5aR,9aR)-8-(benzenesulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(benzenesulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(benzenesulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1664 |
| Compound Name: | rel-(5aR,9aR)-8-(benzenesulfonyl)-1-methyldecahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 310.41 |
| Molecular Formula: | C15 H22 N2 O3 S |
| Smiles: | CN1CCOC[C@H]2CCN(C[C@@H]12)S(c1ccccc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0493 |
| logD: | 1.0202 |
| logSw: | -2.1847 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.523 |
| InChI Key: | SWBSLZRQJDDTSA-HIFRSBDPSA-N |