N-(3-methoxypropyl)-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(3-methoxypropyl)-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-(3-methoxypropyl)-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0923 |
| Compound Name: | N-(3-methoxypropyl)-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C21 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCCOC)CCC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9974 |
| logD: | 1.1694 |
| logSw: | -2.6663 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.266 |
| InChI Key: | RUNHYQOZHSVRBT-UHFFFAOYSA-N |