6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2018 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one |
| Molecular Weight: | 584.74 |
| Molecular Formula: | C33 H36 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(C(C)C1)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8451 |
| logD: | 4.8451 |
| logSw: | -4.5665 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.059 |
| InChI Key: | QWKLWMWVNHXODB-DEOSSOPVSA-N |