N-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1416 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.08 |
| Molecular Formula: | C24 H32 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9525 |
| logD: | 3.1246 |
| logSw: | -4.2811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | WVTNEOKZWWDHEO-UHFFFAOYSA-N |