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 |