5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(2,6-dimethylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(2,6-dimethylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(2,6-dimethylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | K784-0374 |
| Compound Name: | 5-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-sulfonyl}-N-(2,6-dimethylphenyl)-2-fluorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 562.06 |
| Molecular Formula: | C27 H28 F N3 O5 S |
| Salt: | HCl |
| Smiles: | Cc1cccc(C)c1NC(c1cc(ccc1F)S(N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7716 |
| logD: | 3.6685 |
| logSw: | -3.9173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.301 |
| InChI Key: | VXPMMYHPYCENJV-UHFFFAOYSA-N |