2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8018-3672 |
| Compound Name: | 2-{[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 263.32 |
| Molecular Formula: | C12 H13 N3 O2 S |
| Smiles: | Cc1nnc(n1C)SCc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6217 |
| logD: | -2.1102 |
| logSw: | -2.3159 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.507 |
| InChI Key: | HKBRVZJAIQNZJD-UHFFFAOYSA-N |