methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
Compound characteristics
| Compound ID: | C200-4604 |
| Compound Name: | methyl 4-{4-[5-(4-chlorobenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate |
| Molecular Weight: | 454.89 |
| Molecular Formula: | C20 H15 Cl N6 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3ccc(cc3)[Cl])=O)sn2)nnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2167 |
| logD: | 4.1818 |
| logSw: | -4.6486 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.934 |
| InChI Key: | LXSZDBHEZLTBPY-UHFFFAOYSA-N |