2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(4-phenylbut-3-en-2-ylidene)propanehydrazide
Chemical Structure Depiction of
2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(4-phenylbut-3-en-2-ylidene)propanehydrazide
2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(4-phenylbut-3-en-2-ylidene)propanehydrazide
Compound characteristics
| Compound ID: | Y508-9338 |
| Compound Name: | 2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N'-(4-phenylbut-3-en-2-ylidene)propanehydrazide |
| Molecular Weight: | 586.5 |
| Molecular Formula: | C25 H27 I N6 O S |
| Smiles: | CC(C(N/N=C(\C)/C=C/c1ccccc1)=O)Sc1nnc(CNc2ccc(cc2)I)n1CC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9895 |
| logD: | 5.9886 |
| logSw: | -5.5328 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.658 |
| InChI Key: | BROYUTUZQKOFRJ-IBGZPJMESA-N |