ethyl 4-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzoate
ethyl 4-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E727-0405 |
| Compound Name: | ethyl 4-{[2-(methylsulfanyl)-4-phenylpyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1cnc(nc1c1ccccc1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4999 |
| logD: | 4.4988 |
| logSw: | -4.1197 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.397 |
| InChI Key: | JMDFOMOWAFJBBO-UHFFFAOYSA-N |