3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | G856-9050 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-1-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(CCC(N1CCN(CC1)c1nc2c(C)cccc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7606 |
| logD: | 3.7604 |
| logSw: | -3.8152 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.962 |
| InChI Key: | BCWITZPKVGKUJM-UHFFFAOYSA-N |