ethyl 3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
ethyl 3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
ethyl 3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1)
Compound characteristics
Compound ID: | D482-1852 |
Compound Name: | ethyl 3-{[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzoate--hydrogen chloride (1/1) |
Molecular Weight: | 383.88 |
Molecular Formula: | C21 H21 N3 O2 |
Salt: | HCl |
Smiles: | CCOC(c1cccc(c1)Nc1cc(c2ccc(C)cc2)nc(C)n1)=O |
Stereo: | ACHIRAL |
logP: | 5.8597 |
logD: | 4.7708 |
logSw: | -5.4424 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.384 |
InChI Key: | VAGNSQSRLYCJND-UHFFFAOYSA-N |