N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2571 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C17 H18 N4 O4 S2 |
| Smiles: | COc1ccccc1CNC(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2472 |
| logD: | 2.2432 |
| logSw: | -2.6603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.893 |
| InChI Key: | AJFJLCQUFUHSPT-UHFFFAOYSA-N |