3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | C105-0774 |
| Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-methoxyphenyl)methyl]propanamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C17 H17 N3 O4 S2 |
| Smiles: | COc1ccc(CNC(CCS(c2cccc3c2nsn3)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1439 |
| logD: | 2.1439 |
| logSw: | -2.5157 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.971 |
| InChI Key: | RDLWCMIFTXHTGO-UHFFFAOYSA-N |