rel-(5aR,9aS)-7-(3,4-dimethoxybenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(3,4-dimethoxybenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(3,4-dimethoxybenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0881 |
| Compound Name: | rel-(5aR,9aS)-7-(3,4-dimethoxybenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C20 H31 N3 O6 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(c1ccc(c(c1)OC)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7693 |
| logD: | 1.769 |
| logSw: | -2.6241 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.803 |
| InChI Key: | NPSHVVPJQQKJQD-DOTOQJQBSA-N |