[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Chemical Structure Depiction of
[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Compound characteristics
| Compound ID: | 8009-3880 |
| Compound Name: | [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | C(C(O)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6504 |
| logD: | -0.6421 |
| logSw: | -2.8327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.368 |
| InChI Key: | AVUOMUDSGDOION-UHFFFAOYSA-N |