N-[(furan-2-yl)methyl]-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-[(furan-2-yl)methyl]-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | K280-0401 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C28 H27 N7 O2 S |
| Smiles: | CCC(C(NCc1ccco1)=O)Sc1nc2ccccc2c2nc(CCn3c4ccccc4nc3C)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0429 |
| logD: | 4.9275 |
| logSw: | -4.7625 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.177 |
| InChI Key: | QOHDVTYOLPKIKL-DEOSSOPVSA-N |