8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0322 |
| Compound Name: | 8,9-dimethoxy-2-(4-nitrophenyl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 541.51 |
| Molecular Formula: | C25 H18 F3 N5 O4 S |
| Smiles: | COc1cc2c(cc1OC)nc(n1c2nc(c2ccc(cc2)[N+]([O-])=O)n1)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.109 |
| logD: | 6.0916 |
| logSw: | -5.9235 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.439 |
| InChI Key: | GGZCVRFMPSOXMF-UHFFFAOYSA-N |