5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0873 |
| Compound Name: | 5-chloro-2-methoxy-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566 |
| Molecular Formula: | C21 H26 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CC(N2CCNCC2)=O)S(c2cc(ccc2OC)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.3572 |
| logD: | 1.7977 |
| logSw: | -3.3877 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.326 |
| InChI Key: | VKLORYYSVTXMJJ-UHFFFAOYSA-N |