1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0323 |
| Compound Name: | 1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C15 H23 N3 O2 S |
| Smiles: | CC(N1CC[C@]2(CN(Cc3c(C)ncs3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2907 |
| logD: | -3.7563 |
| logSw: | -1.2839 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.574 |
| InChI Key: | OJAWUUVAOCLIOP-DZGCQCFKSA-N |