2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
2-methyl-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0155 |
| Compound Name: | 2-methyl-4-[3-methyl-4-(3-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(CCN1c1cccc(C)c1)C(C1C(c2cccs2)N(C)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0696 |
| logD: | 4.0693 |
| logSw: | -4.1436 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.834 |
| InChI Key: | WYDGJOPEABJLNA-UHFFFAOYSA-N |