3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)propanamide
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C105-0697 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(3,4-dimethoxyphenyl)propanamide |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C17 H17 N3 O5 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CCS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9962 |
| logD: | 1.9958 |
| logSw: | -2.9016 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.366 |
| InChI Key: | QAGSQXXLQSPYDE-UHFFFAOYSA-N |