3-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
3-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | C074-0135 |
| Compound Name: | 3-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C24 H23 N3 O2 S |
| Smiles: | CCOc1ccc(cc1)n1cc(c2ccccc2)c2c(ncnc12)SC(C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4593 |
| logD: | 5.4592 |
| logSw: | -5.5204 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.909 |
| InChI Key: | XLORYTPLNCWILW-KRWDZBQOSA-N |