N-(2,6-difluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-difluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
N-(2,6-difluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | J037-0002 |
| Compound Name: | N-(2,6-difluorophenyl)-2-{[4-methyl-6-(pyrrolidine-1-sulfonyl)quinolin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 477.55 |
| Molecular Formula: | C22 H21 F2 N3 O3 S2 |
| Smiles: | Cc1cc(nc2ccc(cc12)S(N1CCCC1)(=O)=O)SCC(Nc1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4298 |
| logD: | 4.4184 |
| logSw: | -4.2782 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.489 |
| InChI Key: | VRFPOJPGPYSSQB-UHFFFAOYSA-N |