{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8011-4637 |
| Compound Name: | {[5-(3-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C13 H12 N4 O4 S |
| Smiles: | C=CCn1c(c2cccc(c2)[N+]([O-])=O)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0747 |
| logD: | -1.2178 |
| logSw: | -2.3005 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.256 |
| InChI Key: | KVJWYSYJYQHASM-UHFFFAOYSA-N |