butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate
Chemical Structure Depiction of
butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate
butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate
Compound characteristics
Compound ID: | D306-1229 |
Compound Name: | butyl 3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)amino]benzoate |
Molecular Weight: | 363.41 |
Molecular Formula: | C21 H21 N3 O3 |
Smiles: | CCCCOC(c1cccc(c1)NC1NC(C=C(c2ccccc2)N=1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7685 |
logD: | 4.7477 |
logSw: | -4.5742 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.634 |
InChI Key: | FLPWMLNIBOPZHP-UHFFFAOYSA-N |