6-(4-methylpiperazine-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(4-methylpiperazine-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(4-methylpiperazine-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0484 |
| Compound Name: | 6-(4-methylpiperazine-1-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CN1CCN(CC1)S(C1C=CC2=NN(CCc3ccccc3)C(N2C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3375 |
| logD: | 1.1872 |
| logSw: | -2.0799 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.965 |
| InChI Key: | NDDNPBHZLMHAHY-UHFFFAOYSA-N |