4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0506 |
| Compound Name: | 4-{[2-(dimethylamino)ethyl](ethyl)amino}-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.57 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(ccc1N(CC)CCN(C)C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1356 |
| logD: | 4.1356 |
| logSw: | -3.9482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.153 |
| InChI Key: | UMRHXTDDFLDIHC-UHFFFAOYSA-N |