N-(2,5-diethoxyphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-(2,5-diethoxyphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-(2,5-diethoxyphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
Compound ID: | E727-0463 |
Compound Name: | N-(2,5-diethoxyphenyl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
Molecular Weight: | 409.51 |
Molecular Formula: | C22 H23 N3 O3 S |
Smiles: | CCOc1ccc(c(c1)NC(c1cnc(nc1c1ccccc1)SC)=O)OCC |
Stereo: | ACHIRAL |
logP: | 4.5891 |
logD: | 4.5831 |
logSw: | -4.2932 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.279 |
InChI Key: | QIBGTHCBCOBHQL-UHFFFAOYSA-N |