rel-(5aR,9aR)-1-benzyl-8-(3-fluorobenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-1-benzyl-8-(3-fluorobenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-1-benzyl-8-(3-fluorobenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1807 |
| Compound Name: | rel-(5aR,9aR)-1-benzyl-8-(3-fluorobenzene-1-sulfonyl)decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 404.5 |
| Molecular Formula: | C21 H25 F N2 O3 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1ccccc1)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0633 |
| logD: | 3.0602 |
| logSw: | -3.276 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.537 |
| InChI Key: | CBDVYQHENMGHJQ-NQIIRXRSSA-N |