methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
Compound ID: | D278-0160 |
Compound Name: | methyl 3-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
Molecular Weight: | 325.81 |
Molecular Formula: | C14 H15 N3 O2 S |
Salt: | HCl |
Smiles: | Cc1cc(Nc2cccc(c2)C(=O)OC)nc(n1)SC |
Stereo: | ACHIRAL |
logP: | 3.8142 |
logD: | 3.8001 |
logSw: | -3.9848 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.992 |
InChI Key: | DSAQLQTWBNRKEZ-UHFFFAOYSA-N |