4-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
4-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)benzonitrile
4-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | C445-0324 |
| Compound Name: | 4-({[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C25 H18 N6 O4 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7291 |
| logD: | 4.7117 |
| logSw: | -4.7333 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 95.495 |
| InChI Key: | MIIVCWSSRZYQRV-UHFFFAOYSA-N |