methyl 4-(4-{5-[(furan-2-carbonyl)amino]-1,2,4-thiadiazol-3-yl}-5-methyl-1H-1,2,3-triazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(4-{5-[(furan-2-carbonyl)amino]-1,2,4-thiadiazol-3-yl}-5-methyl-1H-1,2,3-triazol-1-yl)benzoate
methyl 4-(4-{5-[(furan-2-carbonyl)amino]-1,2,4-thiadiazol-3-yl}-5-methyl-1H-1,2,3-triazol-1-yl)benzoate
Compound characteristics
| Compound ID: | C200-5014 |
| Compound Name: | methyl 4-(4-{5-[(furan-2-carbonyl)amino]-1,2,4-thiadiazol-3-yl}-5-methyl-1H-1,2,3-triazol-1-yl)benzoate |
| Molecular Weight: | 410.41 |
| Molecular Formula: | C18 H14 N6 O4 S |
| Smiles: | Cc1c(c2nc(NC(c3ccco3)=O)sn2)nnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8945 |
| logD: | 2.893 |
| logSw: | -3.4797 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.512 |
| InChI Key: | BVEFAYYZBFSVGZ-UHFFFAOYSA-N |