3-{3-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{3-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
3-{3-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S858-5898 |
| Compound Name: | 3-{3-[rel-(3aR,7aS)-3a-(hydroxymethyl)-2-(methanesulfonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C19 H25 N3 O6 S |
| Smiles: | CS(N1C[C@@H]2CCN(C[C@@]2(C1)CO)C(CCN1C(=O)Oc2ccccc12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1289 |
| logD: | 0.1289 |
| logSw: | -1.971 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.923 |
| InChI Key: | CYYLDHMUIMGUDM-AUUYWEPGSA-N |