2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylbutan-2-ylidene)propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylbutan-2-ylidene)propanehydrazide
2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylbutan-2-ylidene)propanehydrazide
Compound characteristics
| Compound ID: | Y508-7397 |
| Compound Name: | 2-({5-[(4-iodoanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(1-phenylbutan-2-ylidene)propanehydrazide |
| Molecular Weight: | 624.55 |
| Molecular Formula: | C28 H29 I N6 O S |
| Smiles: | CC\C(Cc1ccccc1)=N/NC(C(C)Sc1nnc(CNc2ccc(cc2)I)n1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4516 |
| logD: | 6.4515 |
| logSw: | -5.6652 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.463 |
| InChI Key: | NUXJEHLFAMMHMY-FQEVSTJZSA-N |