3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Chemical Structure Depiction of
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | F292-0611 |
| Compound Name: | 3-[(4-fluorobenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid |
| Molecular Weight: | 592.57 |
| Molecular Formula: | C22 H27 F N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)NC(CN1CCN(CC1)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0253 |
| logD: | -0.1331 |
| logSw: | -3.4747 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.008 |
| InChI Key: | QIFIRCVZJFMHMX-UHFFFAOYSA-N |