1-[2,5-dimethyl-1-(2-phenylethyl)-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-(2-phenylethyl)-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-(2-phenylethyl)-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: | 5055-6814 |
| Compound Name: | 1-[2,5-dimethyl-1-(2-phenylethyl)-1H-pyrrol-3-yl]-2-[([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 446.59 |
| Molecular Formula: | C24 H22 N4 O S2 |
| Smiles: | Cc1cc(C(CSc2nnc3n2c2ccccc2s3)=O)c(C)n1CCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9357 |
| logD: | 4.9357 |
| logSw: | -4.6808 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.454 |
| InChI Key: | DGDBEWAVQRBTBI-UHFFFAOYSA-N |