5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1054 |
| Compound Name: | 5-[(5-chlorothiophene-2-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.06 |
| Molecular Formula: | C21 H25 Cl N4 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(s2)[Cl])(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0992 |
| logD: | 1.9836 |
| logSw: | -4.287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.225 |
| InChI Key: | YREHCHRWLNOQPM-UHFFFAOYSA-N |