N-butyl-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-butyl-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0662 |
| Compound Name: | N-butyl-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C18 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC(N1CCNCC1)=O)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2079 |
| logD: | 1.6484 |
| logSw: | -2.9363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.945 |
| InChI Key: | RQIMNVMVYDBAKR-UHFFFAOYSA-N |