N'-{[4-(dimethylamino)phenyl]methylidene}-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Chemical Structure Depiction of
N'-{[4-(dimethylamino)phenyl]methylidene}-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
N'-{[4-(dimethylamino)phenyl]methylidene}-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide
Compound characteristics
| Compound ID: | Y508-1469 |
| Compound Name: | N'-{[4-(dimethylamino)phenyl]methylidene}-2-({5-[(4-iodo-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetohydrazide |
| Molecular Weight: | 625.53 |
| Molecular Formula: | C27 H28 I N7 O S |
| Smiles: | Cc1cc(ccc1NCc1nnc(n1c1ccccc1)SCC(N/N=C/c1ccc(cc1)N(C)C)=O)I |
| Stereo: | ACHIRAL |
| logP: | 5.6736 |
| logD: | 5.6733 |
| logSw: | -5.3921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.676 |
| InChI Key: | PIRVYMAFUWAZAD-UHFFFAOYSA-N |