8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | C445-0300 |
| Compound Name: | 8,9-dimethoxy-2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(4-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 555.61 |
| Molecular Formula: | C28 H25 N7 O4 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3cc(c(cc3nc(n2n1)SCc1ccc(cc1)[N+]([O-])=O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7643 |
| logD: | 4.6233 |
| logSw: | -4.6876 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.385 |
| InChI Key: | DQVORACENWSLBX-UHFFFAOYSA-N |