2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylethylidene)acetohydrazide
Chemical Structure Depiction of
2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylethylidene)acetohydrazide
2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylethylidene)acetohydrazide
Compound characteristics
| Compound ID: | Y508-6901 |
| Compound Name: | 2-({5-[(4-methylanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylethylidene)acetohydrazide |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C23 H26 N6 O S |
| Smiles: | C\C(c1ccccc1)=N/NC(CSc1nnc(CNc2ccc(C)cc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9523 |
| logD: | 3.952 |
| logSw: | -3.8733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.363 |
| InChI Key: | LDEMFWYPMJNIAJ-UHFFFAOYSA-N |