N-[(4-bromophenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0883 |
| Compound Name: | N-[(4-bromophenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 596.42 |
| Molecular Formula: | C20 H24 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2473 |
| logD: | 1.6878 |
| logSw: | -2.7933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.239 |
| InChI Key: | CJJFBNQLBIIQKP-UHFFFAOYSA-N |