4-[(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methoxy]benzonitrile
Chemical Structure Depiction of
4-[(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methoxy]benzonitrile
4-[(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methoxy]benzonitrile
Compound characteristics
| Compound ID: | Y501-7053 |
| Compound Name: | 4-[(2-methoxy-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenyl)methoxy]benzonitrile |
| Molecular Weight: | 379.44 |
| Molecular Formula: | C19 H17 N5 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(c(COc2ccc(C#N)cc2)c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 2.1586 |
| logD: | 1.4128 |
| logSw: | -2.5164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.041 |
| InChI Key: | RXQJRRMEXFQPDX-UHFFFAOYSA-N |