ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Chemical Structure Depiction of
ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C074-0130 |
| Compound Name: | ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCC(C(=O)OCC)Sc1c2c(cn(c3ccc(cc3)OCC)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3818 |
| logD: | 6.3818 |
| logSw: | -5.7928 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.836 |
| InChI Key: | BQDGINPYCJAACB-QFIPXVFZSA-N |