N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
Compound characteristics
Compound ID: | E727-0389 |
Compound Name: | N-[(4-methoxyphenyl)methyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide |
Molecular Weight: | 365.45 |
Molecular Formula: | C20 H19 N3 O2 S |
Smiles: | COc1ccc(CNC(c2cnc(nc2c2ccccc2)SC)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.8446 |
logD: | 3.8446 |
logSw: | -3.9859 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.509 |
InChI Key: | KYRIQIHTHKQWDD-UHFFFAOYSA-N |