N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0050 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.66 |
| Molecular Formula: | C25 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)Cc1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.381 |
| logD: | 2.5531 |
| logSw: | -3.786 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.304 |
| InChI Key: | JXEQKASZCMUBHT-UHFFFAOYSA-N |