methyl 5-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
methyl 5-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
methyl 5-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | D692-0552 |
| Compound Name: | methyl 5-({[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}methyl)-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 473.47 |
| Molecular Formula: | C22 H15 N7 O4 S |
| Smiles: | COC(c1cnn2c(cc(CSc3nnc4c5ccccc5nc(c5ccco5)n34)nc12)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9855 |
| logD: | 0.5108 |
| logSw: | -3.0475 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.23 |
| InChI Key: | ZREMTJAKELNSBY-UHFFFAOYSA-N |