2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-hydroxynaphthalen-1-yl)methylidene]propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-hydroxynaphthalen-1-yl)methylidene]propanehydrazide
2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-hydroxynaphthalen-1-yl)methylidene]propanehydrazide
Compound characteristics
| Compound ID: | Y508-2866 |
| Compound Name: | 2-({5-[(4-chloro-2-methylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-[(2-hydroxynaphthalen-1-yl)methylidene]propanehydrazide |
| Molecular Weight: | 571.1 |
| Molecular Formula: | C30 H27 Cl N6 O2 S |
| Smiles: | CC(C(N/N=C/c1c(ccc2ccccc12)O)=O)Sc1nnc(CNc2ccc(cc2C)[Cl])n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8876 |
| logD: | 6.8858 |
| logSw: | -6.1353 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.361 |
| InChI Key: | IXUQZNYJJSRDKV-FQEVSTJZSA-N |