ethyl 6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E749-0026 |
| Compound Name: | ethyl 6-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCOC(C1C(c2cccs2)NC(NC=1CN1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8355 |
| logD: | 2.8355 |
| logSw: | -3.2206 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.465 |
| InChI Key: | ZPKIPBJYLKSBKH-IBGZPJMESA-N |