3-[(methanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(methanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(methanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0681 |
| Compound Name: | 3-[(methanesulfonyl)amino]-4-(4-{2-[(3-methoxypropyl)amino]-2-oxoethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.53 |
| Molecular Formula: | C18 H28 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | COCCCNC(CN1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7607 |
| logD: | -1.349 |
| logSw: | -2.2239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.435 |
| InChI Key: | ZWYUIMKKEAKOLO-UHFFFAOYSA-N |