6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2032 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]quinolin-4(1H)-one |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C32 H34 N4 O5 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0692 |
| logD: | 4.0691 |
| logSw: | -4.1805 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.384 |
| InChI Key: | VSXINKXKHYEYDV-UHFFFAOYSA-N |