4-[({3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6015 |
| Compound Name: | 4-[({3-[(2-chloro-4-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 419.84 |
| Molecular Formula: | C17 H14 Cl N5 O4 S |
| Smiles: | COc1ccc(/C=N/n2cnnc2S)cc1COc1ccc(cc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7481 |
| logD: | 2.7047 |
| logSw: | -3.575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.714 |
| InChI Key: | YFDXWYRKSABDSH-UHFFFAOYSA-N |