1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | 3993-2307 |
| Compound Name: | 1-{1-[4-chloro-3-(trifluoromethyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 510 |
| Molecular Formula: | C23 H19 Cl F3 N3 O S2 |
| Smiles: | Cc1c2c(ncnc2sc1C)SCC(c1cc(C)n(c2ccc(c(c2)C(F)(F)F)[Cl])c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5637 |
| logD: | 6.5636 |
| logSw: | -6.3469 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.925 |
| InChI Key: | ZYLGJNVIVLVGRH-UHFFFAOYSA-N |