2-cyclopentyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1053 |
| Compound Name: | 2-cyclopentyl-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C30 H33 N3 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6567 |
| logD: | 4.6564 |
| logSw: | -4.4673 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.495 |
| InChI Key: | CROHVNHGZLKUKC-UHFFFAOYSA-N |