6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2091 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 631.77 |
| Molecular Formula: | C34 H38 F N5 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCCN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0306 |
| logD: | 3.7294 |
| logSw: | -4.0332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.128 |
| InChI Key: | JYUDSXBFMXZXLH-UHFFFAOYSA-N |