ethyl 3-{[7-(3,5-difluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[7-(3,5-difluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
ethyl 3-{[7-(3,5-difluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | F254-2970 |
| Compound Name: | ethyl 3-{[7-(3,5-difluorophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 422.43 |
| Molecular Formula: | C23 H20 F2 N4 O2 |
| Smiles: | CCOC(c1cccc(c1)Nc1c2c(C)c(C)n(c3cc(cc(c3)F)F)c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8147 |
| logD: | 5.8042 |
| logSw: | -5.8858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.157 |
| InChI Key: | MQAFBLANMAODSM-UHFFFAOYSA-N |