{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Chemical Structure Depiction of
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
{rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol
Compound characteristics
| Compound ID: | S997-0630 |
| Compound Name: | {rel-(3aR,7aS)-2-(methanesulfonyl)-5-[(4-methyl-1,3-thiazol-5-yl)methyl]octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl}methanol |
| Molecular Weight: | 345.48 |
| Molecular Formula: | C14 H23 N3 O3 S2 |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.2118 |
| logD: | -0.751 |
| logSw: | -1.3989 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.661 |
| InChI Key: | VXTFOTPBBHPOJH-TZMCWYRMSA-N |