4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}butanamide
Chemical Structure Depiction of
4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}butanamide
4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}butanamide
Compound characteristics
| Compound ID: | C481-2209 |
| Compound Name: | 4-[(2,1,3-benzothiadiazole-4-sulfonyl)amino]-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}butanamide |
| Molecular Weight: | 506.62 |
| Molecular Formula: | C22 H27 F N6 O3 S2 |
| Smiles: | C(CC(NCCN1CCN(CC1)c1ccccc1F)=O)CNS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8318 |
| logD: | 1.7742 |
| logSw: | -2.3967 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.046 |
| InChI Key: | YMZVGXWNVSEBMF-UHFFFAOYSA-N |