rel-(5aR,9aS)-7-(5-methyl-1,2-oxazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(5-methyl-1,2-oxazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(5-methyl-1,2-oxazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0873 |
| Compound Name: | rel-(5aR,9aS)-7-(5-methyl-1,2-oxazole-3-carbonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C17 H26 N4 O4 |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(c1cc(C)on1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5042 |
| logD: | 1.5038 |
| logSw: | -2.0158 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.708 |
| InChI Key: | HWNJZAUSQVHTRD-ZFWWWQNUSA-N |