methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C074-0076 |
| Compound Name: | methyl 2-{[7-(2-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(c3ccccc3OC)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8501 |
| logD: | 4.8486 |
| logSw: | -4.7842 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.462 |
| InChI Key: | FXKQHHWIDCWPAT-HNNXBMFYSA-N |