3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | D692-0554 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 400.42 |
| Molecular Formula: | C20 H12 N6 O2 S |
| Smiles: | C(c1ccc2c(c1)non2)Sc1nnc2c3ccccc3nc(c3ccco3)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.3324 |
| logD: | 4.3323 |
| logSw: | -4.5339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.208 |
| InChI Key: | VJLPWRCIWFTVDX-UHFFFAOYSA-N |