rel-(3aR,7aS)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aS)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aS)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0341 |
| Compound Name: | rel-(3aR,7aS)-5-benzyl-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 341.47 |
| Molecular Formula: | C19 H23 N3 O S |
| Smiles: | [H][C@]12CN(Cc3c(C)ncs3)C[C@]2([H])CC(N(Cc2ccccc2)C1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1441 |
| logD: | -1.9625 |
| logSw: | -2.4143 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.967 |
| InChI Key: | WOKIQNPVHOBISA-IAGOWNOFSA-N |