N-(3-acetylphenyl)-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
N-(3-acetylphenyl)-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2559 |
| Compound Name: | N-(3-acetylphenyl)-N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C17 H16 N4 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(CCNS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0665 |
| logD: | 2.0611 |
| logSw: | -2.908 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.767 |
| InChI Key: | DABQRKBJBUWZKF-UHFFFAOYSA-N |