2,4,6-trimethyl-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
2,4,6-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,4,6-trimethyl-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: | F916-0601 |
| Compound Name: | 2,4,6-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-{3-[(propan-2-yl)oxy]propyl}benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C21 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CC(N1CCNCC1)=O)S(c1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8613 |
| logD: | 1.3018 |
| logSw: | -2.4397 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.146 |
| InChI Key: | RLWWUIRBMNYURP-UHFFFAOYSA-N |