N-cyclohexyl-2-({8,9-dimethoxy-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-cyclohexyl-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide
N-cyclohexyl-2-({8,9-dimethoxy-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: | C445-0309 |
| Compound Name: | N-cyclohexyl-2-({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)butanamide |
| Molecular Weight: | 587.74 |
| Molecular Formula: | C31 H37 N7 O3 S |
| Smiles: | CCC(C(NC1CCCCC1)=O)Sc1nc2cc(c(cc2c2nc(CCn3c4ccccc4nc3C)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5775 |
| logD: | 5.4621 |
| logSw: | -5.3896 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.414 |
| InChI Key: | KCUUEIUHEMEGQO-MHZLTWQESA-N |