5-[(3-chloro-4-methoxybenzene-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-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-4-methoxybenzene-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: | F294-1026 |
| Compound Name: | 5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]-2-{[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.99 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(c(c2)[Cl])OC)(=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.8016 |
| logD: | 1.686 |
| logSw: | -4.0768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.597 |
| InChI Key: | RCZFQXUZCWNPBV-UHFFFAOYSA-N |