3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoic acid
3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoic acid
Compound characteristics
| Compound ID: | C517-1348 |
| Compound Name: | 3-{[N-(4-methylphenyl)-N-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)glycyl]amino}benzoic acid |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | Cc1ccc(cc1)N(CC(Nc1cccc(c1)C(O)=O)=O)S(c1c(C)nn(C)c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7662 |
| logD: | -0.1197 |
| logSw: | -3.2041 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.189 |
| InChI Key: | HTJPHVFWLFITEP-UHFFFAOYSA-N |