3-{5-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
3-{5-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 8017-6463 |
| Compound Name: | 3-{5-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-oxoethyl]-3-oxo-3,5-dihydro[1,2,4]triazino[2,3-a]benzimidazol-2-yl}propanoic acid |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C28 H32 N4 O5 |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(CN1C2=NC(C(CCC(O)=O)=NN2c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1014 |
| logD: | 1.4421 |
| logSw: | -4.2122 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.838 |
| InChI Key: | QACIGUVLKDETSE-UHFFFAOYSA-N |