2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C066-1368 |
| Compound Name: | 2-ethyl-6,7-dimethoxy-4-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C26 H31 N3 O4 |
| Smiles: | CCN1C=C(C(N2CCN(C(C)C2)c2cccc(C)c2)=O)c2cc(c(cc2C1=O)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5015 |
| logD: | 3.5014 |
| logSw: | -3.5385 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.584 |
| InChI Key: | DCEGGKYDOBXRLC-SFHVURJKSA-N |