N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | V008-2692 |
| Compound Name: | N-(2-{[(2,6-dichlorophenyl)methyl]sulfanyl}ethyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide |
| Molecular Weight: | 557.5 |
| Molecular Formula: | C28 H26 Cl2 N2 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(C(NCCSCc2c(cccc2[Cl])[Cl])=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.8623 |
| logD: | 6.8328 |
| logSw: | -6.3354 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.53 |
| InChI Key: | VRKYZPFSBFHABY-UHFFFAOYSA-N |