(11aR)-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N108-0128 |
| Compound Name: | (11aR)-3-[2-oxo-2-(thiomorpholin-4-yl)ethyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 337.48 |
| Molecular Formula: | C17 H27 N3 O2 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(CC(N1CCSCC1)=O)C2)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.1587 |
| logD: | 0.0964 |
| logSw: | -1.0001 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 36.597 |
| InChI Key: | YXTVAEHZWNUVQQ-RBSFLKMASA-N |