2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-3477 |
| Compound Name: | 2-({5-[(4-chloroanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide |
| Molecular Weight: | 550.42 |
| Molecular Formula: | C22 H21 Cl2 N7 O4 S |
| Smiles: | CC(C(N/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])=O)Sc1nnc(CNc2ccc(cc2)[Cl])n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3142 |
| logD: | 4.4346 |
| logSw: | -5.5417 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.849 |
| InChI Key: | CTJDVLYZUMIVSI-ZDUSSCGKSA-N |