8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0081 |
| Compound Name: | 8,9-dimethoxy-5-{[(3-nitrophenyl)methyl]sulfanyl}-2-phenyl[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 473.51 |
| Molecular Formula: | C24 H19 N5 O4 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccccc2)n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1837 |
| logD: | 5.1662 |
| logSw: | -5.3315 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.439 |
| InChI Key: | VUWGMDKUYJTOPJ-UHFFFAOYSA-N |