[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone
Compound characteristics
| Compound ID: | S996-0250 |
| Compound Name: | [rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1,3-thiazol-4-yl)methanone |
| Molecular Weight: | 345.44 |
| Molecular Formula: | C13 H19 N3 O4 S2 |
| Smiles: | CS(N1C[C@H]2CCN(C[C@]2(C1)CO)C(c1cscn1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.2912 |
| logD: | -0.2912 |
| logSw: | -1.2674 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75 |
| InChI Key: | AVTKBLKRGCCEBG-ZWNOBZJWSA-N |