(11aR)-3-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Chemical Structure Depiction of
(11aR)-3-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
(11aR)-3-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Compound characteristics
| Compound ID: | N109-0186 |
| Compound Name: | (11aR)-3-{1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidin-4-yl}decahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
| Molecular Weight: | 466.65 |
| Molecular Formula: | C26 H34 N4 O2 S |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C1CCN(CC1)C(CCc1nc2ccccc2s1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.9819 |
| logD: | -0.3498 |
| logSw: | -3.253 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.902 |
| InChI Key: | BWGWVMLXHPBGQV-NNMXDRDESA-N |