1-[3-(furan-2-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]-2-phenylbutan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]-2-phenylbutan-1-one
1-[3-(furan-2-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V029-1098 |
| Compound Name: | 1-[3-(furan-2-yl)-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-5-yl]-2-phenylbutan-1-one |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | CCC(C(N1CCSc2nnc(c3ccco3)n12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8175 |
| logD: | 2.8175 |
| logSw: | -2.9906 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.568 |
| InChI Key: | WLAOPESETXGIGJ-CQSZACIVSA-N |