N-(2-methoxyethyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(2-methoxyethyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | K280-0286 |
Compound Name: | N-(2-methoxyethyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
Molecular Weight: | 438.46 |
Molecular Formula: | C20 H18 N6 O4 S |
Smiles: | COCCNC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
Stereo: | ACHIRAL |
logP: | 3.0772 |
logD: | 3.0718 |
logSw: | -3.3974 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.105 |
InChI Key: | RICJGDRZNMYKAM-UHFFFAOYSA-N |