4-(3,4-dihydroquinoline-1(2H)-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(3,4-dihydroquinoline-1(2H)-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(3,4-dihydroquinoline-1(2H)-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0726 |
| Compound Name: | 4-(3,4-dihydroquinoline-1(2H)-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 444.6 |
| Molecular Formula: | C27 H28 N2 O2 S |
| Smiles: | CC(C)CN1C(C(C(N2CCCc3ccccc23)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2854 |
| logD: | 5.2854 |
| logSw: | -5.1661 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.254 |
| InChI Key: | OIXNXPQUFWPSPX-UHFFFAOYSA-N |