2-[bis(2-methylpropyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0581 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 536.54 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1cccc(c1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2051 |
| logD: | 3.0895 |
| logSw: | -4.8375 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | PBBBWMIWYGJEJP-UHFFFAOYSA-N |