5-ethyl-4-[({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-ethyl-4-[({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-ethyl-4-[({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9060 |
| Compound Name: | 5-ethyl-4-[({5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 347.35 |
| Molecular Formula: | C13 H13 N7 O3 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(Cn2cc(cn2)[N+]([O-])=O)o1)S |
| Stereo: | ACHIRAL |
| logP: | 1.1388 |
| logD: | 0.6461 |
| logSw: | -2.0337 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.225 |
| InChI Key: | CZFVJTXLRGRCNM-UHFFFAOYSA-N |