5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1036 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(cc2)C(C)(C)C)(=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.4158 |
| logD: | 3.3002 |
| logSw: | -5.1011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.966 |
| InChI Key: | DFKOIRGWTRUYNN-UHFFFAOYSA-N |