{3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]-4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]-4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}(phenyl)methanone
{3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]-4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | 4380-0051 |
| Compound Name: | {3-[2-(3,5-di-tert-butyl-4-hydroxyphenyl)ethyl]-4-(prop-2-en-1-yl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}(phenyl)methanone |
| Molecular Weight: | 477.67 |
| Molecular Formula: | C28 H35 N3 O2 S |
| Smiles: | CC(C)(C)c1cc(CCC2=NN(C(c3ccccc3)=O)C(N2CC=C)=S)cc(c1O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.2977 |
| logD: | 6.2976 |
| logSw: | -5.3387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.2 |
| InChI Key: | FRHDIMRCOHQNLJ-UHFFFAOYSA-N |