methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
Chemical Structure Depiction of
methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
Compound characteristics
| Compound ID: | C200-5024 |
| Compound Name: | methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3OC)=O)sn2)nnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.447 |
| logD: | 3.3736 |
| logSw: | -3.9483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.565 |
| InChI Key: | IOUFAFAEHZXYEG-UHFFFAOYSA-N |