4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9933 |
| Compound Name: | 4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C15 H15 N7 O3 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(c(Cn2ccc(n2)[N+]([O-])=O)c1)OC)S |
| Stereo: | ACHIRAL |
| logP: | 0.6771 |
| logD: | -0.0688 |
| logSw: | -1.9199 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.991 |
| InChI Key: | PAFCOZRUOBJZFQ-UHFFFAOYSA-N |