N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0903 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]-4-(propan-2-yl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C24 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccc(cc2)C(C)C)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.212 |
| logD: | 2.6525 |
| logSw: | -3.56 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | OSIBIHBLAYOIIV-UHFFFAOYSA-N |