methyl 2-{[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
methyl 2-{[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C074-0104 |
| Compound Name: | methyl 2-{[7-(4-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CC(C(=O)OC)Sc1c2c(cn(c3ccc(cc3)OC)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0556 |
| logD: | 5.0556 |
| logSw: | -4.8445 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.676 |
| InChI Key: | SSQYQQITSVGRBC-HNNXBMFYSA-N |