5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0722 |
| Compound Name: | 5-chloro-2-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-[3-(pyrrolidin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.03 |
| Molecular Formula: | C20 H31 Cl N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1S(N(CCCN1CCCC1)CC(N1CCNCC1)=O)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 0.7208 |
| logD: | -1.4026 |
| logSw: | -2.7603 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.653 |
| InChI Key: | QGRDECUDDKYQEZ-UHFFFAOYSA-N |