2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-fluorophenyl)methylidene]acetohydrazide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-fluorophenyl)methylidene]acetohydrazide
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-fluorophenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-3213 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-fluorophenyl)methylidene]acetohydrazide |
| Molecular Weight: | 458.94 |
| Molecular Formula: | C21 H20 Cl F N6 O S |
| Smiles: | C=CCn1c(CNc2ccc(cc2)[Cl])nnc1SCC(N/N=C/c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2897 |
| logD: | 4.288 |
| logSw: | -4.7238 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.075 |
| InChI Key: | ARHURKFBCMXJRU-UHFFFAOYSA-N |