2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)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'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide
Compound characteristics
| Compound ID: | Y508-3159 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(3,5-dibromo-2-hydroxyphenyl)methylidene]acetohydrazide |
| Molecular Weight: | 614.74 |
| Molecular Formula: | C21 H19 Br2 Cl N6 O2 S |
| Smiles: | C=CCn1c(CNc2ccc(cc2)[Cl])nnc1SCC(N/N=C/c1cc(cc(c1O)[Br])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4549 |
| logD: | 5.4111 |
| logSw: | -5.7213 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.554 |
| InChI Key: | WTUSRUATOZYFKW-UHFFFAOYSA-N |