3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0504 |
| Compound Name: | 3-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-4-{[2-(dimethylamino)ethyl](ethyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 569.98 |
| Molecular Formula: | C20 H26 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1ccc(cc1NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3852 |
| logD: | 3.3852 |
| logSw: | -3.8426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.783 |
| InChI Key: | GXNXLTPKNPCJQY-UHFFFAOYSA-N |