1-[rel-(3aR,7aS)-2-[1-(4-chlorobenzene-1-sulfonyl)cyclopropane-1-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-2-[1-(4-chlorobenzene-1-sulfonyl)cyclopropane-1-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-2-[1-(4-chlorobenzene-1-sulfonyl)cyclopropane-1-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0368 |
| Compound Name: | 1-[rel-(3aR,7aS)-2-[1-(4-chlorobenzene-1-sulfonyl)cyclopropane-1-carbonyl]-7a-(hydroxymethyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 440.94 |
| Molecular Formula: | C20 H25 Cl N2 O5 S |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(C1(CC1)S(c1ccc(cc1)[Cl])(=O)=O)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7687 |
| logD: | 0.7687 |
| logSw: | -2.419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.308 |
| InChI Key: | YMKCYYXOIMJCCO-DNVCBOLYSA-N |