ethyl 4-{[2-(methylsulfanyl)-4-propylpyrimidine-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2-(methylsulfanyl)-4-propylpyrimidine-5-carbonyl]amino}benzoate
ethyl 4-{[2-(methylsulfanyl)-4-propylpyrimidine-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | E727-1363 |
| Compound Name: | ethyl 4-{[2-(methylsulfanyl)-4-propylpyrimidine-5-carbonyl]amino}benzoate |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | CCCc1c(cnc(n1)SC)C(Nc1ccc(cc1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1768 |
| logD: | 4.1389 |
| logSw: | -4.0623 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.164 |
| InChI Key: | AKOJKQCRPCRBBZ-UHFFFAOYSA-N |