ethyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5493-0120 |
| Compound Name: | ethyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=NC(C=C(N)N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4758 |
| logD: | 2.4757 |
| logSw: | -2.8072 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.105 |
| InChI Key: | WOXBIGAYOYJCEN-UHFFFAOYSA-N |