4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0604 |
| Compound Name: | 4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.43 |
| Molecular Formula: | C18 H28 Br N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CC(N1CCNCC1)=O)S(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4214 |
| logD: | 0.8619 |
| logSw: | -2.4615 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.146 |
| InChI Key: | PVNIOIVWUDYZHH-UHFFFAOYSA-N |