5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-(dipropylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-(dipropylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-(dipropylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0252 |
| Compound Name: | 5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-(dipropylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCN(CCC)c1ccc(cc1C(O)=O)NS(c1ccc(C)cc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4239 |
| logD: | 3.3083 |
| logSw: | -5.1646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.239 |
| InChI Key: | PDFFPTJGYOYNPV-UHFFFAOYSA-N |