4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C074-0070 |
| Compound Name: | 4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C26 H19 Cl F N3 O S |
| Smiles: | COc1ccccc1n1cc(c2ccccc2)c2c(ncnc12)SCc1c(cccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.8375 |
| logD: | 6.8257 |
| logSw: | -6.5171 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.0163 |
| InChI Key: | KMWJYILAPPPXTC-UHFFFAOYSA-N |