5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
Compound ID: | D054-0039 |
Compound Name: | 5-chloro-N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)pyrimidine-4-carboxamide |
Molecular Weight: | 323.8 |
Molecular Formula: | C14 H14 Cl N3 O2 S |
Smiles: | [H]N(Cc1ccc(cc1)OC)C(c1c(cnc(n1)SC)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.913 |
logD: | 2.913 |
logSw: | -3.5042 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.781 |
InChI Key: | BZPADBBQRQSSDN-UHFFFAOYSA-N |