N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0887 |
| Compound Name: | N-[(4-bromophenyl)methyl]-2,5-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.45 |
| Molecular Formula: | C21 H26 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(N(CC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.025 |
| logD: | 2.4655 |
| logSw: | -3.224 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | LPXVRTYMPJCVME-UHFFFAOYSA-N |