rel-(3aR,7aR)-2-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Chemical Structure Depiction of
rel-(3aR,7aR)-2-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
rel-(3aR,7aR)-2-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
Compound characteristics
| Compound ID: | SB76-0542 |
| Compound Name: | rel-(3aR,7aR)-2-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-6H-pyrrolo[3,4-c]pyridin-6-one |
| Molecular Weight: | 320.41 |
| Molecular Formula: | C16 H20 N2 O3 S |
| Smiles: | [H][C@]12CC(NC[C@]2([H])CN(C1)S(c1ccc2CCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5009 |
| logD: | 1.5009 |
| logSw: | -2.5234 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.344 |
| InChI Key: | LCUPYUXUJNDAHO-KGLIPLIRSA-N |