methyl 3-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl 3-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
methyl 3-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D482-1804 |
| Compound Name: | methyl 3-{[2-methyl-6-(3-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 369.85 |
| Molecular Formula: | C20 H19 N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1cccc(c1)c1cc(Nc2cccc(c2)C(=O)OC)nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.1731 |
| logD: | 4.4033 |
| logSw: | -5.0923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.804 |
| InChI Key: | MBVTXXZQLVWWCX-UHFFFAOYSA-N |