5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K781-7051 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(3-chloro-2-methylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 582.48 |
| Molecular Formula: | C26 H25 Cl F N3 O5 S |
| Salt: | HCl |
| Smiles: | Cc1c(cccc1[Cl])NC(c1cc(ccc1F)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7298 |
| logD: | 4.3785 |
| logSw: | -4.8325 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.999 |
| InChI Key: | OXVOVXRZSBOCBP-UHFFFAOYSA-N |