3-{3-[(benzyloxy)methyl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Chemical Structure Depiction of
3-{3-[(benzyloxy)methyl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
3-{3-[(benzyloxy)methyl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | L776-0145 |
| Compound Name: | 3-{3-[(benzyloxy)methyl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-sulfonyl}benzonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | Cn1c2CCN(Cc2c(COCc2ccccc2)n1)S(c1cccc(C#N)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5344 |
| logD: | 2.5344 |
| logSw: | -2.7464 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.343 |
| InChI Key: | XJOYSXOPQYAOQA-UHFFFAOYSA-N |