methyl 3-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
methyl 3-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M475-0338 |
| Compound Name: | methyl 3-{[2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 424.46 |
| Molecular Formula: | C25 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)c1ncc(C(Nc2cccc(c2)C(=O)OC)=O)c(c2ccncc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5626 |
| logD: | 4.5622 |
| logSw: | -4.1375 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.252 |
| InChI Key: | JOAJXCGYCFHKSU-UHFFFAOYSA-N |