2-[bis(2-methylpropyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0571 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.47 |
| Molecular Formula: | C19 H25 Br N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8971 |
| logD: | 3.7815 |
| logSw: | -5.3173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.3 |
| InChI Key: | LABLBKQMCZOAFP-UHFFFAOYSA-N |