4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8012-4402 |
| Compound Name: | 4-{[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C23 H19 N3 O2 S |
| Smiles: | C(c1ccccc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4716 |
| logD: | 1.5001 |
| logSw: | -4.4654 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.097 |
| InChI Key: | SJGACKHVCUMHHR-UHFFFAOYSA-N |