N-(3-cyanophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(3-cyanophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D692-0597 |
| Compound Name: | N-(3-cyanophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C22 H14 N6 O2 S |
| Smiles: | C(C(Nc1cccc(C#N)c1)=O)Sc1nnc2c3ccccc3nc(c3ccco3)n12 |
| Stereo: | ACHIRAL |
| logP: | 3.6707 |
| logD: | 3.6705 |
| logSw: | -4.2543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.094 |
| InChI Key: | SQBHFWMYWYTUCA-UHFFFAOYSA-N |