4-(4-cyclohexylpiperazine-1-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-(4-cyclohexylpiperazine-1-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-(4-cyclohexylpiperazine-1-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0836 |
| Compound Name: | 4-(4-cyclohexylpiperazine-1-carbonyl)-2-(2-methylpropyl)-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 479.68 |
| Molecular Formula: | C28 H37 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(N2CCN(CC2)C2CCCCC2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7903 |
| logD: | 4.4075 |
| logSw: | -4.4523 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.683 |
| InChI Key: | MQEHXQLGHLSHHE-UHFFFAOYSA-N |