N-[(3-ethoxyphenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0895 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.58 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccc(cc2)OC)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.8562 |
| logD: | 1.2967 |
| logSw: | -2.8019 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.363 |
| InChI Key: | FJAYTEJLZDDHPW-UHFFFAOYSA-N |