8,9-dimethoxy-6-[(4-nitrophenyl)methyl]-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Chemical Structure Depiction of
8,9-dimethoxy-6-[(4-nitrophenyl)methyl]-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
8,9-dimethoxy-6-[(4-nitrophenyl)methyl]-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one
Compound characteristics
| Compound ID: | G861-0130 |
| Compound Name: | 8,9-dimethoxy-6-[(4-nitrophenyl)methyl]-2-phenyl[1,2,4]triazolo[1,5-c]quinazolin-5(6H)-one |
| Molecular Weight: | 457.44 |
| Molecular Formula: | C24 H19 N5 O5 |
| Smiles: | COc1cc2c(cc1OC)N(Cc1ccc(cc1)[N+]([O-])=O)C(n1c2nc(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9125 |
| logD: | 4.9125 |
| logSw: | -4.7007 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.738 |
| InChI Key: | DPVJOKFXSNQCFP-UHFFFAOYSA-N |