3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-3070 |
| Compound Name: | 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-(prop-2-en-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 603.14 |
| Molecular Formula: | C32 H31 Cl N4 O4 S |
| Smiles: | C=CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7889 |
| logD: | 4.7889 |
| logSw: | -4.9012 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.094 |
| InChI Key: | FMWGGXLSXJZUKR-UHFFFAOYSA-N |