[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indol-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indol-3-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indol-3-yl)methanone
Compound characteristics
| Compound ID: | S996-0244 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1H-indol-3-yl)methanone |
| Molecular Weight: | 377.46 |
| Molecular Formula: | C18 H23 N3 O4 S |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1c[nH]c2ccccc12)=O)(=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.8476 |
| logD: | 0.8476 |
| logSw: | -2.3805 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.242 |
| InChI Key: | MKEZQPOGVOGXMU-FZKQIMNGSA-N |