4-[({4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9816 |
| Compound Name: | 4-[({4-methoxy-3-[(3-nitrophenoxy)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 399.43 |
| Molecular Formula: | C18 H17 N5 O4 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(c(COc2cccc(c2)[N+]([O-])=O)c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 2.5182 |
| logD: | 1.7724 |
| logSw: | -2.634 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.367 |
| InChI Key: | NVHKWFKKRBRQGY-UHFFFAOYSA-N |