methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
Compound characteristics
| Compound ID: | D068-0264 |
| Compound Name: | methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C26 H23 N3 O2 |
| Smiles: | Cc1c(Cc2ccccc2)c(Nc2ccc(cc2)C(=O)OC)nc(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8161 |
| logD: | 5.8757 |
| logSw: | -5.8714 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.569 |
| InChI Key: | CCSOPYFXVIRREM-UHFFFAOYSA-N |