2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Chemical Structure Depiction of
2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline
Compound characteristics
| Compound ID: | K280-0388 |
| Compound Name: | 2-[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]-5-{[(3-nitrophenyl)methyl]sulfanyl}[1,2,4]triazolo[1,5-c]quinazoline |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C26 H21 N7 O2 S |
| Smiles: | Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(n2n1)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.29 |
| logD: | 5.1671 |
| logSw: | -5.6916 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.125 |
| InChI Key: | JHMDOTPFNCPTSN-UHFFFAOYSA-N |