4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-1024 |
| Compound Name: | 4-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}-3-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.6 |
| Molecular Formula: | C24 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1cc(ccc1N(C)CCc1c(C)noc1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0692 |
| logD: | 2.3305 |
| logSw: | -4.4939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.269 |
| InChI Key: | TZJJFFMUMXTRNL-UHFFFAOYSA-N |