5-(difluoromethyl)-4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9837 |
| Compound Name: | 5-(difluoromethyl)-4-[({4-methoxy-3-[(3-nitro-1H-pyrazol-1-yl)methyl]phenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 409.37 |
| Molecular Formula: | C15 H13 F2 N7 O3 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2S)cc1Cn1ccc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0167 |
| logD: | 0.2708 |
| logSw: | -2.2211 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.214 |
| InChI Key: | ANUMLOAPGOZMNW-UHFFFAOYSA-N |