N-[(3-methoxyphenyl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(3-methoxyphenyl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0488 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-2,4-dimethyl-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.66 |
| Molecular Formula: | C22 H31 N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1cccc(c1)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4735 |
| logD: | 2.1289 |
| logSw: | -2.7184 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | CIQQASIAGRUFRX-UHFFFAOYSA-N |