3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4(3H)-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | P492-1798 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-methyl-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | CC1=NC=C(C(N1CC(N1CCc2ccccc2C1)=O)=O)c1nc(cs1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8602 |
| logD: | 3.8448 |
| logSw: | -3.8976 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.891 |
| InChI Key: | IKLWMMIDXCIPSD-UHFFFAOYSA-N |