[rel-(3aR,7aS)-5-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-5-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-5-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1159 |
| Compound Name: | [rel-(3aR,7aS)-5-{[3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(methanesulfonyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C21 H30 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1c(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)c[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7453 |
| logD: | -1.6809 |
| logSw: | -2.2932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.907 |
| InChI Key: | DBSZKUZUAWVIDU-DYESRHJHSA-N |