N-(3-chloro-4-fluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J037-0001 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 494.01 |
| Molecular Formula: | C22 H21 Cl F N3 O3 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCC1)(=O)=O)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1617 |
| logD: | 5.1525 |
| logSw: | -5.574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.885 |
| InChI Key: | HEOAKJHLYJPBRD-UHFFFAOYSA-N |