1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 4112-4109 |
| Compound Name: | 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 452.98 |
| Molecular Formula: | C22 H17 Cl N4 O S2 |
| Smiles: | Cc1cc(C(CSc2nnc3n2c2ccccc2s3)=O)c(C)n1c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2081 |
| logD: | 5.2081 |
| logSw: | -5.5027 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.218 |
| InChI Key: | LPMABXMWTRNFLV-UHFFFAOYSA-N |