N-benzyl-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-benzyl-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0212 |
| Compound Name: | N-benzyl-2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C24 H18 N6 O3 S |
| Smiles: | C(c1ccccc1)NC(CSc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7616 |
| logD: | 4.7611 |
| logSw: | -5.0621 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.65 |
| InChI Key: | KFIQDWCCIXOMQN-UHFFFAOYSA-N |