ethyl 4-{[4-methyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-methyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
ethyl 4-{[4-methyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E727-0078 |
| Compound Name: | ethyl 4-{[4-methyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cnc(nc1C)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2266 |
| logD: | 3.1869 |
| logSw: | -3.373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.475 |
| InChI Key: | XLKCJLQEDKRDFF-UHFFFAOYSA-N |