2,5-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0511 |
| Compound Name: | 2,5-dimethoxy-N-[(oxolan-2-yl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.57 |
| Molecular Formula: | C20 H31 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(N(CCC(N1CCNCC1)=O)CC1CCCO1)(=O)=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0109 |
| logD: | -0.8171 |
| logSw: | -2.3168 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.502 |
| InChI Key: | OHTURGHFVBIDCI-QGZVFWFLSA-N |