N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
Compound ID: | C481-0684 |
Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide |
Molecular Weight: | 459.59 |
Molecular Formula: | C21 H25 N5 O3 S2 |
Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CN(C)S(c1cccc2c1nsn2)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2584 |
logD: | 3.2583 |
logSw: | -3.418 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 73.107 |
InChI Key: | RIQSQFLKHJBSJM-UHFFFAOYSA-N |