3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2016 |
| Compound Name: | 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 605.16 |
| Molecular Formula: | C32 H33 Cl N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2478 |
| logD: | 5.2478 |
| logSw: | -5.4725 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.539 |
| InChI Key: | VQVDLXASCLTFGY-UHFFFAOYSA-N |