methyl 3-{[2-(4-fluorophenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(4-fluorophenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
methyl 3-{[2-(4-fluorophenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M475-0907 |
| Compound Name: | methyl 3-{[2-(4-fluorophenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 428.42 |
| Molecular Formula: | C24 H17 F N4 O3 |
| Smiles: | COC(c1cccc(c1)NC(c1cnc(c2ccc(cc2)F)nc1c1ccncc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1683 |
| logD: | 4.1679 |
| logSw: | -4.1761 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.252 |
| InChI Key: | RGAOMRLOSKFOEE-UHFFFAOYSA-N |