4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide
Compound characteristics
Compound ID: | K781-3196 |
Compound Name: | 4-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N-(4-chloro-2-fluorophenyl)-3-nitrobenzamide |
Molecular Weight: | 439.89 |
Molecular Formula: | C19 H19 Cl F N3 O4 S |
Smiles: | CCCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 4.5951 |
logD: | 3.6501 |
logSw: | -4.7715 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.025 |
InChI Key: | SUFZKJSBNZZBBP-UHFFFAOYSA-N |