methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Chemical Structure Depiction of
methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
Compound characteristics
| Compound ID: | C074-0049 |
| Compound Name: | methyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C23 H20 F N3 O2 S |
| Smiles: | CCC(C(=O)OC)Sc1c2c(cn(c3cccc(c3)F)c2ncn1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.635 |
| logD: | 5.635 |
| logSw: | -5.629 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.132 |
| InChI Key: | NMCSEQFWCHTRAZ-IBGZPJMESA-N |