4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8012-4519 |
| Compound Name: | 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C22 H17 N3 O2 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7337 |
| logD: | 1.7622 |
| logSw: | -4.6031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.121 |
| InChI Key: | DOHGOFAURHEKQT-UHFFFAOYSA-N |