5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0730 |
| Compound Name: | 5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.91 |
| Molecular Formula: | C18 H21 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1ccc(cc1C(O)=O)NS(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.706 |
| logD: | 1.5904 |
| logSw: | -4.0857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.362 |
| InChI Key: | MSNUBOKGZCTGFI-UHFFFAOYSA-N |