N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0483 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzenesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 567.6 |
| Molecular Formula: | C20 H27 N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCS(N2CCNCC2)(=O)=O)S(c2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.4457 |
| logD: | 1.101 |
| logSw: | -2.3738 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | HKKIJPNYSUTBGM-UHFFFAOYSA-N |