4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C074-0126 |
| Compound Name: | 4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine |
| Molecular Weight: | 490 |
| Molecular Formula: | C27 H21 Cl F N3 O S |
| Smiles: | CCOc1ccc(cc1)n1cc(c2ccccc2)c2c(ncnc12)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 7.4297 |
| logD: | 7.4293 |
| logSw: | -6.6535 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 29.8104 |
| InChI Key: | LLXMBXQETFZYRJ-UHFFFAOYSA-N |