N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1414 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C18 H17 N5 O5 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCNS(c1cccc3c1non3)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.5632 |
| logD: | 3.5592 |
| logSw: | -3.7979 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.962 |
| InChI Key: | GGCWYDUKELHODL-UHFFFAOYSA-N |