5-[(2-chlorobenzene-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-[(2-chlorobenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(2-chlorobenzene-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: | F294-1031 |
| Compound Name: | 5-[(2-chlorobenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 577.96 |
| Molecular Formula: | C21 H22 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccccc2[Cl])(=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.7703 |
| logD: | 1.6546 |
| logSw: | -3.9341 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.966 |
| InChI Key: | YCTSNOHJQXVBNZ-UHFFFAOYSA-N |