N-(4-chloro-2-fluorophenyl)-3-nitro-4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}benzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-nitro-4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}benzamide
N-(4-chloro-2-fluorophenyl)-3-nitro-4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}benzamide
Compound characteristics
| Compound ID: | K781-3192 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-nitro-4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}benzamide |
| Molecular Weight: | 437.88 |
| Molecular Formula: | C19 H17 Cl F N3 O4 S |
| Smiles: | C1CCN(C1)C(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.304 |
| logD: | 3.359 |
| logSw: | -4.6123 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.199 |
| InChI Key: | UIWHISUHGPZRTQ-UHFFFAOYSA-N |