rel-(5aR,9aS)-7-(2,4-difluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(2,4-difluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
rel-(5aR,9aS)-7-(2,4-difluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine
Compound characteristics
| Compound ID: | SB16-0439 |
| Compound Name: | rel-(5aR,9aS)-7-(2,4-difluorobenzene-1-sulfonyl)-1-[(pyridin-3-yl)methyl]decahydropyrido[4,3-e][1,4]oxazepine |
| Molecular Weight: | 423.48 |
| Molecular Formula: | C20 H23 F2 N3 O3 S |
| Smiles: | C1CN(C[C@@H]2COCCN(Cc3cccnc3)[C@H]12)S(c1ccc(cc1F)F)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.619 |
| logD: | 1.5685 |
| logSw: | -1.7927 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.054 |
| InChI Key: | PPYGYTULQOFBKK-QFBILLFUSA-N |