5-[(4-bromobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(4-bromobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0714 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.34 |
| Molecular Formula: | C17 H19 Br N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2547 |
| logD: | 2.139 |
| logSw: | -4.1367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.731 |
| InChI Key: | KBDKOIRFXVHECQ-UHFFFAOYSA-N |