4-bromo-N-cyclopropyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-cyclopropyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-cyclopropyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0394 |
| Compound Name: | 4-bromo-N-cyclopropyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 530.36 |
| Molecular Formula: | C16 H22 Br N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(CN(C1CC1)S(c1ccc(cc1)[Br])(=O)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5565 |
| logD: | 0.7285 |
| logSw: | -2.4263 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.288 |
| InChI Key: | KHHFZMJVQQUKNJ-UHFFFAOYSA-N |