N-[(2-chlorophenyl)methyl]-4-ethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-4-ethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0104 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-ethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 566 |
| Molecular Formula: | C21 H26 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(N(CC(N1CCNCC1)=O)Cc1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4158 |
| logD: | 1.8563 |
| logSw: | -3.1478 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | HKBLSOBGYHNRMB-UHFFFAOYSA-N |