2-benzyl-9-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-benzyl-9-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-benzyl-9-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-0834 |
| Compound Name: | 2-benzyl-9-(1-methyl-5-nitro-1H-benzimidazol-2-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C24 H21 N7 O3 |
| Smiles: | Cn1c2ccc(cc2nc1C1C2=C(CCCC2=O)Nc2nc(Cc3ccccc3)nn12)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7263 |
| logD: | 3.1375 |
| logSw: | -4.1915 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.727 |
| InChI Key: | ZTMKBTNGXZGIED-JOCHJYFZSA-N |