rel-(5aR,9aS)-N-propyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-N-propyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-N-propyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0792 |
| Compound Name: | rel-(5aR,9aS)-N-propyl-7-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C22 H33 N3 O4 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)S(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5042 |
| logD: | 3.5039 |
| logSw: | -3.6794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.463 |
| InChI Key: | ONNXMEIEWKAESG-PZJWPPBQSA-N |