2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
Compound ID: | F294-0559 |
Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid |
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(c1ccc(cc1)F)(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.241 |
logD: | 3.1253 |
logSw: | -4.8467 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 72.282 |
InChI Key: | QERLVPNXHBLJSA-UHFFFAOYSA-N |