5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0956 |
| Compound Name: | 5-chloro-2-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 576.03 |
| Molecular Formula: | C20 H32 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0706 |
| logD: | 0.2426 |
| logSw: | -2.8561 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.755 |
| InChI Key: | APJIIBSZAQMIOX-UHFFFAOYSA-N |