4-{[5-({[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzonitrile
Chemical Structure Depiction of
4-{[5-({[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzonitrile
4-{[5-({[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzonitrile
Compound characteristics
| Compound ID: | Y503-4384 |
| Compound Name: | 4-{[5-({[3-(furan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)-2-methoxyphenyl]methoxy}benzonitrile |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C22 H17 N5 O3 S |
| Smiles: | COc1ccc(/C=N/n2c(c3ccco3)nnc2S)cc1COc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1445 |
| logD: | 2.6532 |
| logSw: | -3.1565 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.571 |
| InChI Key: | MLWPXGZZZLXIAH-UHFFFAOYSA-N |