[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Chemical Structure Depiction of
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
[rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol
Compound characteristics
| Compound ID: | S997-1090 |
| Compound Name: | [rel-(3aR,7aS)-2-(methanesulfonyl)-5-({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methyl)octahydro-7aH-pyrrolo[3,4-c]pyridin-7a-yl]methanol |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | COc1ccc(CN2CC[C@]3(CN(C[C@H]3C2)S(C)(=O)=O)CO)cc1Cn1cccn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6231 |
| logD: | -0.3253 |
| logSw: | -2.0262 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.609 |
| InChI Key: | UZENIJCOLIGZCS-TZIWHRDSSA-N |