rel-(5aR,9aS)-7-(4-fluorobenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(4-fluorobenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(4-fluorobenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0872 |
| Compound Name: | rel-(5aR,9aS)-7-(4-fluorobenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 399.48 |
| Molecular Formula: | C18 H26 F N3 O4 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1921 |
| logD: | 2.1919 |
| logSw: | -2.7452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.543 |
| InChI Key: | NUMONCPYIXNNEJ-WMLDXEAASA-N |