8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0155 |
| Compound Name: | 8,9-dimethoxy-2-(4-nitrophenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 518.51 |
| Molecular Formula: | C24 H18 N6 O6 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0004 |
| logD: | 4.9829 |
| logSw: | -4.8751 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.821 |
| InChI Key: | NBVIDZLIHZLDGV-UHFFFAOYSA-N |