(11aR)-3-[3-(1,3-benzothiazol-2-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-[3-(1,3-benzothiazol-2-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-[3-(1,3-benzothiazol-2-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N107-0186 |
| Compound Name: | (11aR)-3-[3-(1,3-benzothiazol-2-yl)propanoyl]decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6017 |
| logD: | 2.6017 |
| logSw: | -2.8408 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.808 |
| InChI Key: | YQVVZOAFDNVJMB-ZMSDIMECSA-N |