2-({5-[(4-bromoanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-bromoanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
2-({5-[(4-bromoanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y501-3800 |
| Compound Name: | 2-({5-[(4-bromoanilino)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(5-chloro-2-hydroxy-3-nitrophenyl)methylidene]propanehydrazide |
| Molecular Weight: | 568.83 |
| Molecular Formula: | C20 H19 Br Cl N7 O4 S |
| Smiles: | CC(C(N/N=C/c1cc(cc(c1O)[N+]([O-])=O)[Cl])=O)Sc1nnc(CNc2ccc(cc2)[Br])n1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7271 |
| logD: | 3.8475 |
| logSw: | -4.5415 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.68 |
| InChI Key: | KPEDPVFAABFPRK-NSHDSACASA-N |