rel-(5aR,9aS)-7-(3-fluoro-4-methylbenzoyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(3-fluoro-4-methylbenzoyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(3-fluoro-4-methylbenzoyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0861 |
| Compound Name: | rel-(5aR,9aS)-7-(3-fluoro-4-methylbenzoyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C20 H28 F N3 O3 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1ccc(C)c(c1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5215 |
| logD: | 2.5212 |
| logSw: | -2.7448 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.48 |
| InChI Key: | VOLPQMCVEFEHTM-FUHWJXTLSA-N |