rel-(5aR,9aS)-7-(4-ethylbenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-7-(4-ethylbenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-7-(4-ethylbenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0801 |
| Compound Name: | rel-(5aR,9aS)-7-(4-ethylbenzene-1-sulfonyl)-N-propyloctahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C20 H31 N3 O4 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(c1ccc(CC)cc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0937 |
| logD: | 3.0934 |
| logSw: | -3.3488 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.543 |
| InChI Key: | VFADAZCVXWUMBC-PKOBYXMFSA-N |