4-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9906 |
| Compound Name: | 4-[({5-[(4-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 384.79 |
| Molecular Formula: | C15 H11 Cl F2 N4 O2 S |
| Smiles: | C(c1ccc(/C=N/n2c(C(F)F)nnc2S)o1)Oc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1979 |
| logD: | 2.7053 |
| logSw: | -3.4096 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.59 |
| InChI Key: | ITHANHMCJBGMKW-UHFFFAOYSA-N |