5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0130 |
| Compound Name: | 5-{[(2-chlorophenyl)methyl]sulfanyl}-8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 507.95 |
| Molecular Formula: | C24 H18 Cl N5 O4 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.011 |
| logD: | 5.9935 |
| logSw: | -6.2259 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.439 |
| InChI Key: | ADMADDCKWGCYAI-UHFFFAOYSA-N |