N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1406 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.02 |
| Molecular Formula: | C22 H28 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0929 |
| logD: | 1.2649 |
| logSw: | -3.1827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.848 |
| InChI Key: | RUFBTPHPAYWBMQ-UHFFFAOYSA-N |