rel-(5aR,9aR)-8-(3-fluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aR)-8-(3-fluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
rel-(5aR,9aR)-8-(3-fluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine
Compound characteristics
| Compound ID: | S232-1945 |
| Compound Name: | rel-(5aR,9aR)-8-(3-fluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[3,4-e][1,4]oxazepine |
| Molecular Weight: | 405.49 |
| Molecular Formula: | C20 H24 F N3 O3 S |
| Smiles: | C1CN(C[C@@H]2[C@H]1COCCN2Cc1cccnc1)S(c1cccc(c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7501 |
| logD: | 1.7494 |
| logSw: | -1.8853 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.054 |
| InChI Key: | QFDDOHNTAIZYMH-XLIONFOSSA-N |