ethyl 4-amino-2-({2-[ethyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[ethyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[ethyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | D133-0021 |
Compound Name: | ethyl 4-amino-2-({2-[ethyl(phenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
Molecular Weight: | 360.43 |
Molecular Formula: | C17 H20 N4 O3 S |
Smiles: | CCN(C(CSc1ncc(C(=O)OCC)c(N)n1)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.6042 |
logD: | 2.6042 |
logSw: | -2.942 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.324 |
InChI Key: | BFEAKVVLZKJQTK-UHFFFAOYSA-N |