3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-ethoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-ethoxyphenyl)methyl]propanamide
3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-ethoxyphenyl)methyl]propanamide
Compound characteristics
Compound ID: | K906-6246 |
Compound Name: | 3-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-ethoxyphenyl)methyl]propanamide |
Molecular Weight: | 405.49 |
Molecular Formula: | C18 H19 N3 O4 S2 |
Smiles: | CCOc1ccc(CNC(CCS(c2cccc3c2nsn3)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 2.5305 |
logD: | 2.5305 |
logSw: | -2.6996 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.551 |
InChI Key: | XEMMOFIBABDDAX-UHFFFAOYSA-N |