rel-(5aR,9aS)-N-propyl-7-[(thiophen-2-yl)acetyl]octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Chemical Structure Depiction of
rel-(5aR,9aS)-N-propyl-7-[(thiophen-2-yl)acetyl]octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
rel-(5aR,9aS)-N-propyl-7-[(thiophen-2-yl)acetyl]octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide
Compound characteristics
| Compound ID: | SB16-0865 |
| Compound Name: | rel-(5aR,9aS)-N-propyl-7-[(thiophen-2-yl)acetyl]octahydropyrido[4,3-e][1,4]oxazepine-1(5H)-carboxamide |
| Molecular Weight: | 365.49 |
| Molecular Formula: | C18 H27 N3 O3 S |
| Smiles: | CCCNC(N1CCOC[C@H]2CN(CC[C@@H]12)C(Cc1cccs1)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.798 |
| logD: | 1.7976 |
| logSw: | -2.3023 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.971 |
| InChI Key: | JVUYCZUFIXXCEZ-GOEBONIOSA-N |