3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | J084-0198 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-phenyl[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 410.46 |
| Molecular Formula: | C22 H14 N6 O S |
| Smiles: | C(c1ccc2c(c1)non2)Sc1nnc2c3ccccc3nc(c3ccccc3)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.2779 |
| logD: | 5.2651 |
| logSw: | -5.9529 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.63 |
| InChI Key: | SWSRTOFKLIVMGA-UHFFFAOYSA-N |