N-ethyl-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-ethyl-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-ethyl-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0644 |
| Compound Name: | N-ethyl-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 453.48 |
| Molecular Formula: | C16 H25 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCC(N1CCNCC1)=O)S(c1cccc(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7884 |
| logD: | -0.0395 |
| logSw: | -2.3954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.67 |
| InChI Key: | DIBINYDNLHIATC-UHFFFAOYSA-N |