5-chloro-2-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0446 |
| Compound Name: | 5-chloro-2-methoxy-N-(3-methylbutyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546 |
| Molecular Formula: | C19 H30 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CCN(CCC(N1CCNCC1)=O)S(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0419 |
| logD: | 1.2139 |
| logSw: | -3.0679 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.554 |
| InChI Key: | MKPYUDWVTDSZPJ-UHFFFAOYSA-N |