4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | C074-0015 |
| Compound Name: | 4-{[(2,5-dimethylphenyl)methyl]sulfanyl}-7-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C27 H22 F N3 S |
| Smiles: | Cc1ccc(C)c(CSc2c3c(cn(c4ccc(cc4)F)c3ncn2)c2ccccc2)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.5682 |
| logD: | 7.5679 |
| logSw: | -6.2114 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 22.6868 |
| InChI Key: | VCJNUNQPIGQREI-UHFFFAOYSA-N |