methyl 4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D692-0555 |
| Compound Name: | methyl 4-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C22 H16 N4 O3 S |
| Smiles: | COC(c1ccc(CSc2nnc3c4ccccc4nc(c4ccco4)n23)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.225 |
| logD: | 4.2249 |
| logSw: | -4.3311 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.062 |
| InChI Key: | HXZLRUOZADEWGD-UHFFFAOYSA-N |