{4-[3-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[3-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
{4-[3-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-methyl-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V028-5699 |
| Compound Name: | {4-[3-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-2-methylpiperazin-1-yl}(4-methyl-3-nitrophenyl)methanone |
| Molecular Weight: | 497.51 |
| Molecular Formula: | C26 H23 N7 O4 |
| Salt: | not_available |
| Smiles: | CC1CN(CCN1C(c1ccc(C)c(c1)[N+]([O-])=O)=O)c1nc2ccccc2c2nnc(c3ccco3)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0274 |
| logD: | 4.021 |
| logSw: | -4.2199 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 90.327 |
| InChI Key: | MZYYNZOFIHNCBF-KRWDZBQOSA-N |