3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Chemical Structure Depiction of
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine
Compound characteristics
| Compound ID: | M114-0099 |
| Compound Name: | 3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-8-(pyrrolidine-1-sulfonyl)[1,2,4]triazolo[4,3-a]pyridine |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C19 H22 N4 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSc2nnc3c(cccn23)S(N2CCCC2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5514 |
| logD: | 3.5514 |
| logSw: | -3.4593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.782 |
| InChI Key: | NFAQXVVBTQWKPV-UHFFFAOYSA-N |