N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2422 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C17 H18 N4 O5 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8605 |
| logD: | 1.8551 |
| logSw: | -2.7354 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.201 |
| InChI Key: | DDGDIDKZPWHWTF-UHFFFAOYSA-N |