6-ethoxy-4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethoxy-4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2H-1-benzopyran-2-one
6-ethoxy-4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D692-0553 |
| Compound Name: | 6-ethoxy-4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 470.51 |
| Molecular Formula: | C25 H18 N4 O4 S |
| Smiles: | CCOc1ccc2c(c1)C(CSc1nnc3c4ccccc4nc(c4ccco4)n13)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.6148 |
| logD: | 4.6147 |
| logSw: | -4.4408 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.42 |
| InChI Key: | GEBPXIDTWMSFPJ-UHFFFAOYSA-N |