methyl 5-({[1-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)naphthalen-2-yl]oxy}methyl)furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-({[1-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)naphthalen-2-yl]oxy}methyl)furan-2-carboxylate
methyl 5-({[1-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)naphthalen-2-yl]oxy}methyl)furan-2-carboxylate
Compound characteristics
| Compound ID: | Y508-9894 |
| Compound Name: | methyl 5-({[1-({[3-(difluoromethyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)naphthalen-2-yl]oxy}methyl)furan-2-carboxylate |
| Molecular Weight: | 458.44 |
| Molecular Formula: | C21 H16 F2 N4 O4 S |
| Smiles: | COC(c1ccc(COc2ccc3ccccc3c2/C=N/n2c(C(F)F)nnc2S)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6039 |
| logD: | 2.858 |
| logSw: | -3.8305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.408 |
| InChI Key: | IOTLJMRAGPAMLU-UHFFFAOYSA-N |