methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Chemical Structure Depiction of
methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
Compound characteristics
| Compound ID: | C074-0048 |
| Compound Name: | methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | CC(C(=O)OC)Sc1c2c(cn(c3cccc(c3)F)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.118 |
| logD: | 5.1179 |
| logSw: | -5.0749 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.132 |
| InChI Key: | UBYMGLYLFMEOSF-AWEZNQCLSA-N |