methyl 2-{[7-(4-fluorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[7-(4-fluorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
methyl 2-{[7-(4-fluorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | F254-3450 |
| Compound Name: | methyl 2-{[7-(4-fluorophenyl)-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C23 H21 F N4 O2 |
| Smiles: | Cc1c2c(Nc3ccccc3C(=O)OC)nc(C)nc2n(c2ccc(cc2)F)c1C |
| Stereo: | ACHIRAL |
| logP: | 5.1347 |
| logD: | 4.1656 |
| logSw: | -5.233 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.253 |
| InChI Key: | JWRLNJWVKUHAPS-UHFFFAOYSA-N |