4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L127-0017 |
| Compound Name: | 4-methoxy-N-[(2-methoxyphenyl)methyl]-N-[2-(piperazine-1-sulfonyl)ethyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.63 |
| Molecular Formula: | C21 H29 N3 O6 S2 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CCS(N1CCNCC1)(=O)=O)Cc1ccccc1OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6417 |
| logD: | 1.297 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.332 |
| InChI Key: | CBRGDHZSNRNMMD-UHFFFAOYSA-N |