{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | F235-1941 |
| Compound Name: | {[4-(2-methylprop-2-en-1-yl)-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 334.35 |
| Molecular Formula: | C14 H14 N4 O4 S |
| Smiles: | CC(=C)Cn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6348 |
| logD: | -0.6577 |
| logSw: | -2.755 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.278 |
| InChI Key: | BVHKEBYIBWWWRD-UHFFFAOYSA-N |