[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-0686 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-{[3-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 420.53 |
| Molecular Formula: | C20 H28 N4 O4 S |
| Smiles: | COc1cccc(c1)c1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1832 |
| logD: | -1.243 |
| logSw: | -2.3152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.19 |
| InChI Key: | UZWSWTDPMKAZHX-YLJYHZDGSA-N |