methyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 5493-0119 |
| Compound Name: | methyl 4-{2-[(6-amino-4-oxo-1-phenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=NC(C=C(N)N1c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9651 |
| logD: | 1.965 |
| logSw: | -2.4999 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.525 |
| InChI Key: | DOIVUIMOHLEYDI-UHFFFAOYSA-N |