4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C074-0042 |
| Compound Name: | 4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine |
| Molecular Weight: | 463.94 |
| Molecular Formula: | C25 H16 Cl F2 N3 S |
| Smiles: | C(c1c(cccc1[Cl])F)Sc1c2c(cn(c3cccc(c3)F)c2ncn1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1054 |
| logD: | 7.1053 |
| logSw: | -6.9661 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.6868 |
| InChI Key: | KERWWOMPPLGMRB-UHFFFAOYSA-N |