2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0257 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C25 H25 N7 O4 S |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4nc(n3n2)SCc2ccc(cc2)[N+]([O-])=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.3148 |
| logD: | 3.0727 |
| logSw: | -3.4801 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.415 |
| InChI Key: | SWQZMBMHVOITJA-UHFFFAOYSA-N |