methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)-5-methylthiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)-5-methylthiophene-3-carboxylate
methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)-5-methylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | D692-0565 |
| Compound Name: | methyl 2-(2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamido)-5-methylthiophene-3-carboxylate |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C22 H17 N5 O4 S2 |
| Smiles: | Cc1cc(C(=O)OC)c(NC(CSc2nnc3c4ccccc4nc(c4ccco4)n23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9765 |
| logD: | 2.9483 |
| logSw: | -4.1463 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.006 |
| InChI Key: | ZEWTYOACSMNKAT-UHFFFAOYSA-N |