N-(4-chloro-2-fluorophenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
N-(4-chloro-2-fluorophenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide
Compound characteristics
| Compound ID: | K781-3143 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-3-nitro-4-[(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)sulfanyl]benzamide |
| Molecular Weight: | 479.93 |
| Molecular Formula: | C20 H15 Cl F N3 O4 S2 |
| Smiles: | C(c1cccs1)NC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9164 |
| logD: | 3.9714 |
| logSw: | -5.2126 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.931 |
| InChI Key: | JFWQHRSRUGLMHJ-UHFFFAOYSA-N |