N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide
Compound characteristics
Compound ID: | C105-2622 |
Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-bromo-2-methylphenyl)-beta-alaninamide |
Molecular Weight: | 455.35 |
Molecular Formula: | C16 H15 Br N4 O3 S2 |
Smiles: | Cc1cc(ccc1NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O)[Br] |
Stereo: | ACHIRAL |
logP: | 3.1438 |
logD: | 3.1384 |
logSw: | -3.3518 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.242 |
InChI Key: | WQGVQJGWFPMOSI-UHFFFAOYSA-N |