3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0496 |
| Compound Name: | 3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.58 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(N(CCC(N1CCNCC1)=O)CCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2864 |
| logD: | 1.4585 |
| logSw: | -2.8832 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.652 |
| InChI Key: | PPEXCXADORMKJE-UHFFFAOYSA-N |