methyl 4-{[6-ethyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-ethyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl]amino}benzoate
methyl 4-{[6-ethyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | M810-2889 |
| Compound Name: | methyl 4-{[6-ethyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonyl]amino}benzoate |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C17 H20 N4 O4 S2 |
| Smiles: | CCc1c(n2c(n1)sc(C(C)C)n2)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7913 |
| logD: | 3.366 |
| logSw: | -4.0145 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.309 |
| InChI Key: | LNKNBCBWVNAUHL-UHFFFAOYSA-N |