{[4-benzyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-benzyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-benzyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | C663-0658 |
| Compound Name: | {[4-benzyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1Cc1ccccc1)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8774 |
| logD: | 1.5849 |
| logSw: | -4.441 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.625 |
| InChI Key: | MDLFAZNLYNAUND-UHFFFAOYSA-N |