2-(3-benzyl-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-benzyl-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-benzyl-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: | 8009-1374 |
| Compound Name: | 2-(3-benzyl-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: | 393.46 |
| Molecular Formula: | C21 H19 N3 O3 S |
| Smiles: | C1C(C2COC(C1=O)O2)N1C(N(C(Cc2ccccc2)=N1)c1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6152 |
| logD: | 2.6152 |
| logSw: | -2.8142 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.821 |
| InChI Key: | VAVACWVWMLDDHZ-UHFFFAOYSA-N |