5-[(4-acetylbenzene-1-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-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-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: | F294-1068 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 612.62 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2ccc(cc2)C(C)=O)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.103 |
| logD: | 0.9873 |
| logSw: | -3.5072 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.033 |
| InChI Key: | LDCSPAOMYLYRRM-UHFFFAOYSA-N |