2-[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Chemical Structure Depiction of
2-[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
2-[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Compound characteristics
| Compound ID: | 8009-1576 |
| Compound Name: | 2-[3-(4-methoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | COc1ccc(cc1)C1=NN(C2CC(C3OCC2O3)=O)C(N1c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6965 |
| logD: | 2.6965 |
| logSw: | -2.9689 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.508 |
| InChI Key: | CCQGEQHRADNQBZ-UHFFFAOYSA-N |