N-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0101 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-(2-methylpropyl)-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 578.05 |
| Molecular Formula: | C23 H30 Cl N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(N(CC(N1CCNCC1)=O)Cc1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7272 |
| logD: | 3.1677 |
| logSw: | -3.9214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.695 |
| InChI Key: | XKIWGRJTKFLMJQ-UHFFFAOYSA-N |