2-{3-[(3,4-dimethylphenoxy)methyl]-4-methyl-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-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
2-{3-[(3,4-dimethylphenoxy)methyl]-4-methyl-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: | 8009-1373 |
| Compound Name: | 2-{3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C18 H21 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)OCC1=NN(C2CC(C3OCC2O3)=O)C(N1C)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.779 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.968 |
| InChI Key: | XWSJMECLGXIJTR-UHFFFAOYSA-N |