4-(4-methylphenyl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
4-(4-methylphenyl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid
4-(4-methylphenyl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid
Compound characteristics
Compound ID: | S272-0746 |
Compound Name: | 4-(4-methylphenyl)-2-(thiomorpholin-4-yl)pyrimidine-5-carboxylic acid |
Molecular Weight: | 315.39 |
Molecular Formula: | C16 H17 N3 O2 S |
Smiles: | Cc1ccc(cc1)c1c(cnc(n1)N1CCSCC1)C(O)=O |
Stereo: | ACHIRAL |
logP: | 2.9479 |
logD: | 1.7708 |
logSw: | -3.0331 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.618 |
InChI Key: | HYOBMUFLWHAJBH-UHFFFAOYSA-N |