2,4,6-trimethyl-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,4,6-trimethyl-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,4,6-trimethyl-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F482-1009 |
Compound Name: | 2,4,6-trimethyl-N-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 509.59 |
Molecular Formula: | C20 H33 N3 O3 S |
Salt: | CF3COOH |
Smiles: | CC(C)CN(CCC(N1CCNCC1)=O)S(c1c(C)cc(C)cc1C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.6123 |
logD: | 1.7843 |
logSw: | -2.9247 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 59.945 |
InChI Key: | GRPMCBUWQOZMQT-UHFFFAOYSA-N |