N-(3,5-difluorophenyl)-3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-(3,5-difluorophenyl)-3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]benzamide--hydrogen chloride (1/1)
N-(3,5-difluorophenyl)-3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K781-6830 |
| Compound Name: | N-(3,5-difluorophenyl)-3-nitro-4-[4-(pyridin-2-yl)piperazin-1-yl]benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 475.88 |
| Molecular Formula: | C22 H19 F2 N5 O3 |
| Salt: | HCl |
| Smiles: | C1CN(CCN1c1ccc(cc1[N+]([O-])=O)C(Nc1cc(cc(c1)F)F)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5675 |
| logD: | 3.26 |
| logSw: | -4.5027 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.333 |
| InChI Key: | KIMRFFKNVFTUJG-UHFFFAOYSA-N |