[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](quinolin-2-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](quinolin-2-yl)methanone
[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](quinolin-2-yl)methanone
Compound characteristics
| Compound ID: | S997-0641 |
| Compound Name: | [rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](quinolin-2-yl)methanone |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C19 H23 N3 O4 S |
| Smiles: | CS(N1C[C@H]2CN(CC[C@]2(C1)CO)C(c1ccc2ccccc2n1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.01 |
| logD: | 1.01 |
| logSw: | -2.2679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.702 |
| InChI Key: | KWPFPZOURPCGCD-DNVCBOLYSA-N |