methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | 8014-2835 |
| Compound Name: | methyl 4-(2-{[6-amino-4-oxo-1-(2-phenylethyl)-1,4-dihydropyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CSC1=NC(C=C(N)N1CCc1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6614 |
| logD: | 2.6614 |
| logSw: | -3.1744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.115 |
| InChI Key: | UOBUSCCLLYUFCX-UHFFFAOYSA-N |