rel-(3aR,7aR)-2-[4-(1,3-benzothiazol-2-yl)butanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-[4-(1,3-benzothiazol-2-yl)butanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-[4-(1,3-benzothiazol-2-yl)butanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0529 |
| Compound Name: | rel-(3aR,7aR)-2-[4-(1,3-benzothiazol-2-yl)butanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C18 H21 N3 O2 S |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)C(CCCc1nc2ccccc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5851 |
| logD: | 1.5851 |
| logSw: | -2.2139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.683 |
| InChI Key: | LRWFXZLYGWBMQE-OLZOCXBDSA-N |