N-[(3-chlorophenyl)methyl]-2-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-2-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1419 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550 |
| Molecular Formula: | C21 H26 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3987 |
| logD: | 1.5707 |
| logSw: | -3.4138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | OLEZYIFCKJQAST-UHFFFAOYSA-N |