dimethyl 5-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | E727-0331 |
| Compound Name: | dimethyl 5-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 437.47 |
| Molecular Formula: | C22 H19 N3 O5 S |
| Smiles: | COC(c1cc(cc(c1)NC(c1cnc(nc1c1ccccc1)SC)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3874 |
| logD: | 4.3871 |
| logSw: | -4.3678 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.991 |
| InChI Key: | UPEHNNUKUCEGBY-UHFFFAOYSA-N |