4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclopentyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclopentyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclopentyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1059 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-cyclopentyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 520.09 |
| Molecular Formula: | C29 H30 Cl N3 O2 S |
| Smiles: | C1CCC(C1)N1C(C(C(N2CCN(CC2)c2cccc(c2)[Cl])=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2396 |
| logD: | 5.2396 |
| logSw: | -5.581 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.166 |
| InChI Key: | LBSIIRCTYHLNMG-UHFFFAOYSA-N |