rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0805 |
| Compound Name: | rel-(5aR,9aS)-7-(phenylmethanesulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C19 H29 N3 O4 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7814 |
| logD: | 1.7811 |
| logSw: | -2.3239 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.437 |
| InChI Key: | GFKQIDAVKQBFCY-ZWKOTPCHSA-N |