benzyl {[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
benzyl {[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | C074-0050 |
| Compound Name: | benzyl {[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C27 H20 F N3 O2 S |
| Smiles: | C(c1ccccc1)OC(CSc1c2c(cn(c3cccc(c3)F)c2ncn1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2349 |
| logD: | 6.2349 |
| logSw: | -6.1991 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.221 |
| InChI Key: | ZOTNPNOKYAAIJR-UHFFFAOYSA-N |