methyl 2-{[4-ethyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[4-ethyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
methyl 2-{[4-ethyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E727-1038 |
| Compound Name: | methyl 2-{[4-ethyl-2-(methylsulfanyl)pyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | CCc1c(cnc(n1)SC)C(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9743 |
| logD: | 1.7691 |
| logSw: | -3.4825 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.886 |
| InChI Key: | CCPKVGLOGGHJSQ-UHFFFAOYSA-N |