{[4-benzyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-benzyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-benzyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | D432-0177 |
| Compound Name: | {[4-benzyl-5-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 404.28 |
| Molecular Formula: | C17 H14 Br N3 O2 S |
| Smiles: | C(c1ccccc1)n1c(c2ccc(cc2)[Br])nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9169 |
| logD: | 0.6243 |
| logSw: | -4.0498 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.625 |
| InChI Key: | SDSRHAPMTXVYEH-UHFFFAOYSA-N |