2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0487 |
| Compound Name: | 2-[2-(5-methyl-1H-imidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C22 H19 N7 O2 S |
| Smiles: | Cc1cncn1CCc1nc2c3ccccc3nc(n2n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7663 |
| logD: | 2.2495 |
| logSw: | -3.8185 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.808 |
| InChI Key: | ZRBLOSVIROQKER-UHFFFAOYSA-N |