2-methyl-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-methyl-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0085 |
| Compound Name: | 2-methyl-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 459.61 |
| Molecular Formula: | C27 H29 N3 O2 S |
| Smiles: | CC1CN(CCN1c1ccc(C)cc1)C(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9276 |
| logD: | 3.9262 |
| logSw: | -3.9447 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.834 |
| InChI Key: | PKPGXJYOYGKHFR-UHFFFAOYSA-N |