ethyl 4-(2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M459-5888 |
| Compound Name: | ethyl 4-(2-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nccc(n1)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1731 |
| logD: | 5.173 |
| logSw: | -5.0101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.173 |
| InChI Key: | AOVKXJPSNKPZLJ-UHFFFAOYSA-N |