[rel-(3aR,7aR)-2-benzyl-5-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-benzyl-5-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aR)-2-benzyl-5-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1844 |
| Compound Name: | [rel-(3aR,7aR)-2-benzyl-5-(2,3-dihydro-1H-indene-5-sulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 426.58 |
| Molecular Formula: | C24 H30 N2 O3 S |
| Smiles: | C1Cc2ccc(cc2C1)S(N1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C1)CO)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5408 |
| logD: | 0.2446 |
| logSw: | -3.5985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.978 |
| InChI Key: | UNVRUILEEXUGIE-ISKFKSNPSA-N |