6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | P047-0231 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-(2-phenylethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C23 H22 N4 O3 S |
| Smiles: | C(CN1C(N2C=C(C=CC2=N1)S(N1CCc2ccccc2C1)(=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4721 |
| logD: | 3.4721 |
| logSw: | -3.5314 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.151 |
| InChI Key: | JGWBMDCDIZRSJI-UHFFFAOYSA-N |