1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)propan-1-one
Chemical Structure Depiction of
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)propan-1-one
1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)propan-1-one
Compound characteristics
| Compound ID: | G856-9498 |
| Compound Name: | 1-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-methylbenzene-1-sulfonyl)propan-1-one |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C23 H27 N3 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(CCC(N1CCN(CC1)c1nc2c(C)c(C)ccc2s1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2113 |
| logD: | 4.2112 |
| logSw: | -4.0859 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.962 |
| InChI Key: | UYBARITYYNUZIY-UHFFFAOYSA-N |