4-[({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Chemical Structure Depiction of
4-[({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
4-[({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile
Compound characteristics
| Compound ID: | C445-0330 |
| Compound Name: | 4-[({8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)methyl]benzonitrile |
| Molecular Weight: | 535.63 |
| Molecular Formula: | C29 H25 N7 O2 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3cc(c(cc3nc(n2n1)SCc1ccc(C#N)cc1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4931 |
| logD: | 4.3521 |
| logSw: | -4.3359 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.06 |
| InChI Key: | JFLOMMIQKKYRBL-UHFFFAOYSA-N |