2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1147 |
| Compound Name: | 2,5-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 582.64 |
| Molecular Formula: | C22 H36 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(N(CCCN1CCCC1)CCC(N1CCNCC1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 0.4654 |
| logD: | -1.7207 |
| logSw: | -2.3694 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.175 |
| InChI Key: | BMISSRIIUHZKAE-UHFFFAOYSA-N |