4-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0480 |
| Compound Name: | 4-chloro-N-[(3-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.05 |
| Molecular Formula: | C20 H26 Cl N3 O5 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(CN(CCS(N2CCNCC2)(=O)=O)S(c2ccc(cc2)[Cl])(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.2255 |
| logD: | 1.8808 |
| logSw: | -3.3165 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | NPAKJJJYKDVERW-UHFFFAOYSA-N |