N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-1444 |
| Compound Name: | N~3~-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C19 H22 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CCNS(c2cccc3c2non3)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.3415 |
| logD: | 1.3375 |
| logSw: | -2.4594 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.502 |
| InChI Key: | OHFDEVGHLCZMQB-UHFFFAOYSA-N |