3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1278 |
| Compound Name: | 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-1-ethyl-6-(pyrrolidine-1-sulfonyl)quinolin-4(1H)-one |
| Molecular Weight: | 543.08 |
| Molecular Formula: | C27 H31 Cl N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCC1)(=O)=O)=O)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8783 |
| logD: | 3.8783 |
| logSw: | -4.2926 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.243 |
| InChI Key: | WTCXLPTWGHRSTC-UHFFFAOYSA-N |