{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | F235-1948 |
| Compound Name: | {[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 368.25 |
| Molecular Formula: | C14 H14 Br N3 O2 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[Br])nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.543 |
| logD: | 0.2505 |
| logSw: | -3.5655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.896 |
| InChI Key: | UVSXLZJNUIYURL-UHFFFAOYSA-N |