N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0438 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2,4,6-trimethyl-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: | Cc1cc(C)c(c(C)c1)S(N(CC(N1CCNCC1)=O)Cc1cccc(c1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7602 |
| logD: | 2.2007 |
| logSw: | -3.2133 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.239 |
| InChI Key: | KGEUTVJWWQLJNN-UHFFFAOYSA-N |