methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | D692-0476 |
| Compound Name: | methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C23 H17 N5 O4 S |
| Smiles: | COC(c1ccccc1NC(CSc1nnc2c3ccccc3nc(c3ccco3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5343 |
| logD: | 3.5213 |
| logSw: | -3.795 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.514 |
| InChI Key: | GYJMTZUGMDBCJL-UHFFFAOYSA-N |