4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(3-phenylpropyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(3-phenylpropyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(3-phenylpropyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F916-0610 |
| Compound Name: | 4-methoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(3-phenylpropyl)benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(N(CCCc1ccccc1)CC(N1CCNCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1425 |
| logD: | 1.583 |
| logSw: | -2.6968 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.218 |
| InChI Key: | DKMLRODLTJMFTP-UHFFFAOYSA-N |