N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C105-2576 |
| Compound Name: | N~3~-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(4-fluorophenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 394.44 |
| Molecular Formula: | C16 H15 F N4 O3 S2 |
| Smiles: | C(CNS(c1cccc2c1nsn2)(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0549 |
| logD: | 2.051 |
| logSw: | -2.652 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.262 |
| InChI Key: | GOQWZQZNKBNOJQ-UHFFFAOYSA-N |