3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | J084-0694 |
| Compound Name: | 3-{[(2,1,3-benzoxadiazol-5-yl)methyl]sulfanyl}-5-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C23 H16 N6 O S |
| Smiles: | Cc1cccc(c1)c1nc2ccccc2c2nnc(n12)SCc1ccc2c(c1)non2 |
| Stereo: | ACHIRAL |
| logP: | 5.7522 |
| logD: | 5.7217 |
| logSw: | -5.8749 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.63 |
| InChI Key: | IYHDYRGASUCUDB-UHFFFAOYSA-N |