ethyl 4-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
ethyl 4-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M475-0272 |
| Compound Name: | ethyl 4-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C26 H22 N4 O3 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cnc(c2ccc(C)cc2)nc1c1ccncc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8927 |
| logD: | 4.8911 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.832 |
| InChI Key: | GXPUOFYQYXDKNT-UHFFFAOYSA-N |