1-(2,5-dimethyl-1-phenyl-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-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one
1-(2,5-dimethyl-1-phenyl-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: | 5055-7271 |
| Compound Name: | 1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H18 N4 O S2 |
| Smiles: | Cc1cc(C(CSc2nnc3n2c2ccccc2s3)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4918 |
| logD: | 4.4918 |
| logSw: | -4.3769 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.218 |
| InChI Key: | DULCIWYXQWPJPW-UHFFFAOYSA-N |