N-[(2-chlorophenyl)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0096 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550 |
| Molecular Formula: | C21 H26 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(N(CC(N1CCNCC1)=O)Cc1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8896 |
| logD: | 2.3301 |
| logSw: | -3.4211 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | VJXWAUSNSQNREU-UHFFFAOYSA-N |