4-[({3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-7052 |
| Compound Name: | 4-[({3-[(5-fluoro-2-nitrophenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 417.42 |
| Molecular Formula: | C18 H16 F N5 O4 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(c(COc2cc(ccc2[N+]([O-])=O)F)c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 2.3821 |
| logD: | 1.6362 |
| logSw: | -2.6253 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.152 |
| InChI Key: | DQMMEIUWENMGFV-UHFFFAOYSA-N |