3-[(4-acetylbenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-acetylbenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
3-[(4-acetylbenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0520 |
| Compound Name: | 3-[(4-acetylbenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.55 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1NS(c1ccc(cc1)C(C)=O)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.747 |
| logD: | 2.747 |
| logSw: | -3.1557 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.98 |
| InChI Key: | JVERTIQYGXCHBT-UHFFFAOYSA-N |