2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(4-{2-oxo-2-[(propan-2-yl)amino]ethyl}piperazin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0512 |
| Compound Name: | 2-[(2-ethylbenzene-1-sulfonyl)amino]-5-(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: | CCc1ccccc1S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NC(C)C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0827 |
| logD: | -0.8021 |
| logSw: | -3.4144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.309 |
| InChI Key: | ZBNSSSUWSFIFIJ-UHFFFAOYSA-N |