ethyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
ethyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate
Compound characteristics
| Compound ID: | D278-0176 |
| Compound Name: | ethyl 4-{[6-methyl-2-(methylsulfanyl)pyrimidin-4-yl]amino}benzoate |
| Molecular Weight: | 303.38 |
| Molecular Formula: | C15 H17 N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)Nc1cc(C)nc(n1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1442 |
| logD: | 4.1302 |
| logSw: | -4.101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.571 |
| InChI Key: | XKFZIBGRCGXVKG-UHFFFAOYSA-N |