{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
Chemical Structure Depiction of
{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
{4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid
Compound characteristics
| Compound ID: | 7832-0107 |
| Compound Name: | {4-[3-(quinolin-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]phenyl}acetic acid |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C19 H14 N4 O2 S |
| Smiles: | C(C(O)=O)c1ccc(cc1)n1c(c2ccc3ccccc3n2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.8436 |
| logD: | -0.2408 |
| logSw: | -3.2603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.172 |
| InChI Key: | NOZRDARYRWBEFR-UHFFFAOYSA-N |