3-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
3-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | C074-0051 |
| Compound Name: | 3-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H18 F N3 O S |
| Smiles: | CC(C(C)=O)Sc1c2c(cn(c3cccc(c3)F)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1351 |
| logD: | 5.1351 |
| logSw: | -5.0728 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.785 |
| InChI Key: | WHVSTKUUXRCMKP-HNNXBMFYSA-N |