3-[(ethanesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0649 |
| Compound Name: | 3-[(ethanesulfonyl)amino]-4-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.53 |
| Molecular Formula: | C18 H28 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCNC(CN1CCN(CC1)c1ccc(cc1NS(CC)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9163 |
| logD: | 0.1558 |
| logSw: | -2.7097 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.773 |
| InChI Key: | SYFOECXYQJRZGN-UHFFFAOYSA-N |