N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C105-2517 |
| Compound Name: | N-{3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CCNS(c1cccc2c1nsn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2633 |
| logD: | 3.2593 |
| logSw: | -3.5333 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.143 |
| InChI Key: | MTLPOLUMPPXNIH-UHFFFAOYSA-N |