5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid
Chemical Structure Depiction of
5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid
5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid
Compound characteristics
| Compound ID: | F294-1052 |
| Compound Name: | 5-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amino}benzoic acid |
| Molecular Weight: | 598.64 |
| Molecular Formula: | C25 H32 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCn1c(C)c(CCN(C)c2ccc(cc2C(O)=O)NS(c2cc(C)ccc2C)(=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3266 |
| logD: | 2.2109 |
| logSw: | -4.1356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.206 |
| InChI Key: | ITUNWGBCSXECPO-UHFFFAOYSA-N |