N-[(3-ethoxyphenyl)methyl]-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0902 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-3,4-dimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)S(c2ccc(C)c(C)c2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8988 |
| logD: | 2.3393 |
| logSw: | -3.4077 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.819 |
| InChI Key: | KSMZNFQQFTUTKU-UHFFFAOYSA-N |