N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
Chemical Structure Depiction of
N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide
Compound characteristics
| Compound ID: | A0062417 |
| Compound Name: | N-({5-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}sulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)furan-2-carboxamide |
| Molecular Weight: | 523.51 |
| Molecular Formula: | C20 H16 F3 N7 O3 S2 |
| Smiles: | Cc1nnc(NC(CSc2nnc(CNC(c3ccco3)=O)n2c2cccc(c2)C(F)(F)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4034 |
| logD: | 2.3626 |
| logSw: | -2.9734 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.453 |
| InChI Key: | FTTFOMJVKFHGDU-UHFFFAOYSA-N |