5-(difluoromethyl)-4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(difluoromethyl)-4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
5-(difluoromethyl)-4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-8647 |
| Compound Name: | 5-(difluoromethyl)-4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 390.41 |
| Molecular Formula: | C18 H16 F2 N4 O2 S |
| Smiles: | C1Cc2ccc(cc2C1)OCc1ccc(/C=N/n2c(C(F)F)nnc2S)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.4654 |
| logD: | 2.9727 |
| logSw: | -3.5613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.876 |
| InChI Key: | RHCAKZVPTWAFSF-UHFFFAOYSA-N |