N-[(2-chlorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
N-[(2-chlorophenyl)methyl]-4-methoxy-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0069 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-methoxy-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: | COc1ccc(cc1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1735 |
| logD: | 1.8289 |
| logSw: | -2.9988 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.702 |
| InChI Key: | PFWLXVAUEZOTTR-UHFFFAOYSA-N |