rel-(8aR,12aS)-1-[(3-methoxyphenyl)acetyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Chemical Structure Depiction of
rel-(8aR,12aS)-1-[(3-methoxyphenyl)acetyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
rel-(8aR,12aS)-1-[(3-methoxyphenyl)acetyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one
Compound characteristics
| Compound ID: | S767-0014 |
| Compound Name: | rel-(8aR,12aS)-1-[(3-methoxyphenyl)acetyl]decahydro-1H-4,1,7-benzoxadiazecin-8(5H)-one |
| Molecular Weight: | 360.45 |
| Molecular Formula: | C20 H28 N2 O4 |
| Smiles: | COc1cccc(CC(N2CCOCCNC([C@@H]3CCCC[C@H]23)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.8228 |
| logD: | 1.8228 |
| logSw: | -2.3082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.433 |
| InChI Key: | OPLPSHOJONZQLR-MSOLQXFVSA-N |