N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | C646-0097 |
| Compound Name: | N-{1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-2-methyl-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 507.07 |
| Molecular Formula: | C23 H27 Cl N4 O3 S2 |
| Smiles: | CC(C)C(C(N1CCN(CC1)c1cccc(c1)[Cl])=O)NS(c1ccc2c(c1)sc(C)n2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4204 |
| logD: | 4.4199 |
| logSw: | -4.4276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.269 |
| InChI Key: | KGQATDAZAOMBKH-QFIPXVFZSA-N |