3-[(4-ethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-ethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-[(4-ethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0622 |
| Compound Name: | 3-[(4-ethylbenzene-1-sulfonyl)amino]-4-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 602.63 |
| Molecular Formula: | C24 H32 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CC1)CC(NC(C)C)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9269 |
| logD: | 1.1881 |
| logSw: | -3.8932 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.008 |
| InChI Key: | WVDUTNWIYAEHMX-UHFFFAOYSA-N |