5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0495 |
| Compound Name: | 5-[(3,4-dimethoxybenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.56 |
| Molecular Formula: | C21 H29 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5255 |
| logD: | 2.5255 |
| logSw: | -2.9122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.112 |
| InChI Key: | DBIBMPJFUUMABV-UHFFFAOYSA-N |