methyl 4-[4-(5-benzamido-1,2,4-thiadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[4-(5-benzamido-1,2,4-thiadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-1-yl]benzoate
methyl 4-[4-(5-benzamido-1,2,4-thiadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-1-yl]benzoate
Compound characteristics
| Compound ID: | C200-4581 |
| Compound Name: | methyl 4-[4-(5-benzamido-1,2,4-thiadiazol-3-yl)-5-methyl-1H-1,2,3-triazol-1-yl]benzoate |
| Molecular Weight: | 420.45 |
| Molecular Formula: | C20 H16 N6 O3 S |
| Smiles: | Cc1c(c2nc(NC(c3ccccc3)=O)sn2)nnn1c1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5169 |
| logD: | 3.5128 |
| logSw: | -3.8248 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.934 |
| InChI Key: | UQNCVTCWXXGLRQ-UHFFFAOYSA-N |