2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-6-[(4-nitrophenyl)methyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Chemical Structure Depiction of
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-6-[(4-nitrophenyl)methyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-6-[(4-nitrophenyl)methyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Compound characteristics
| Compound ID: | G861-0146 |
| Compound Name: | 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-8,9-dimethoxy-6-[(4-nitrophenyl)methyl][1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C25 H25 N7 O5 |
| Smiles: | Cc1cc(C)n(CCc2nc3c4cc(c(cc4N(Cc4ccc(cc4)[N+]([O-])=O)C(n3n2)=O)OC)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2075 |
| logD: | 3.2059 |
| logSw: | -3.5556 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 102.713 |
| InChI Key: | PTSSUUQBKFYOLP-UHFFFAOYSA-N |