3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F292-0698 |
Compound Name: | 3-[(ethanesulfonyl)amino]-4-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 578.54 |
Molecular Formula: | C21 H25 F N4 O5 S |
Salt: | CF3COOH |
Smiles: | CCS(Nc1cc(ccc1N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3006 |
logD: | 1.5401 |
logSw: | -3.5886 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 100.338 |
InChI Key: | NBVVYLFDNLCMLS-UHFFFAOYSA-N |