N-(4-ethylphenyl)-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-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-(4-ethylphenyl)-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: | K280-0540 |
| Compound Name: | N-(4-ethylphenyl)-2-({2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 549.7 |
| Molecular Formula: | C31 H31 N7 O S |
| Smiles: | CCC(C(Nc1ccc(CC)cc1)=O)Sc1nc2ccccc2c2nc(CCn3c4ccccc4nc3C)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7056 |
| logD: | 6.5902 |
| logSw: | -5.9013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.106 |
| InChI Key: | NGAXMFOFVWPYBL-MHZLTWQESA-N |