4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0841 |
| Compound Name: | 4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 501.69 |
| Molecular Formula: | C30 H35 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(N2CCN(CC2)c2cc(C)ccc2C)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9265 |
| logD: | 5.9264 |
| logSw: | -5.5573 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.549 |
| InChI Key: | VTCWLRACFZIIMP-UHFFFAOYSA-N |