N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D692-0535 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 445.45 |
| Molecular Formula: | C22 H15 N5 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(CSc1nnc2c3ccccc3nc(c3ccco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6428 |
| logD: | 3.6427 |
| logSw: | -4.1789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.153 |
| InChI Key: | CHQZKCGVINJUOB-UHFFFAOYSA-N |