N-[(4-bromophenyl)methyl]-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1505 |
| Compound Name: | N-[(4-bromophenyl)methyl]-4-fluoro-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 598.41 |
| Molecular Formula: | C20 H23 Br F N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1ccc(cc1)[Br])S(c1ccc(cc1)F)(=O)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4796 |
| logD: | 1.6517 |
| logSw: | -2.8476 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | OAFCXJJGUUPBSF-UHFFFAOYSA-N |