N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | C583-0100 |
| Compound Name: | N-{1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 514.71 |
| Molecular Formula: | C26 H34 N4 O3 S2 |
| Smiles: | CC(C)CC(C(N1CCN(CC1)c1cccc(C)c1C)=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5227 |
| logD: | 5.5223 |
| logSw: | -5.4061 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.247 |
| InChI Key: | RQOFLUOTJFYILR-QHCPKHFHSA-N |