ethyl 2-{2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
ethyl 2-{2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | P194-1264 |
| Compound Name: | ethyl 2-{2-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 446.51 |
| Molecular Formula: | C25 H26 N4 O4 |
| Smiles: | CCOC(c1ccccc1NC(CN1C(=NC(C)=CC1=O)N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2726 |
| logD: | 3.2628 |
| logSw: | -3.3909 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.823 |
| InChI Key: | AQCMGCYHKBAQSB-UHFFFAOYSA-N |