N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1502 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(2,5-dimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 406.42 |
| Molecular Formula: | C17 H18 N4 O6 S |
| Smiles: | COc1ccc(c(c1)NC(CCNS(c1cccc2c1non2)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0329 |
| logD: | 2.0274 |
| logSw: | -3.0244 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.554 |
| InChI Key: | JDKZGSREBISUCJ-UHFFFAOYSA-N |