4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0485 |
| Compound Name: | 4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.66 |
| Molecular Formula: | C25 H35 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)CCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.542 |
| logD: | 2.7141 |
| logSw: | -3.8335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.652 |
| InChI Key: | RJRKHECGPXLBAZ-UHFFFAOYSA-N |