3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-1022 |
| Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.57 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(ccc1N(C)CCc1c(C)noc1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6104 |
| logD: | 1.1698 |
| logSw: | -4.2006 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.269 |
| InChI Key: | KVHTZPDKBNHGDU-UHFFFAOYSA-N |