6-(4-methylpiperidine-1-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(4-methylpiperidine-1-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(4-methylpiperidine-1-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0181 |
| Compound Name: | 6-(4-methylpiperidine-1-sulfonyl)-2-(2-phenoxyethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 416.5 |
| Molecular Formula: | C20 H24 N4 O4 S |
| Smiles: | CC1CCN(CC1)S(C1C=CC2=NN(CCOc3ccccc3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8662 |
| logD: | 2.8661 |
| logSw: | -3.2472 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.907 |
| InChI Key: | KDBKTLQXHWGRHN-UHFFFAOYSA-N |