5-[(ethanesulfonyl)amino]-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
5-[(ethanesulfonyl)amino]-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
5-[(ethanesulfonyl)amino]-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F290-0698 |
| Compound Name: | 5-[(ethanesulfonyl)amino]-2-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 464.51 |
| Molecular Formula: | C21 H25 F N4 O5 S |
| Smiles: | CCS(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0791 |
| logD: | 0.9634 |
| logSw: | -3.481 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.036 |
| InChI Key: | NZDHWWYFLASIBK-UHFFFAOYSA-N |