methyl 4-[2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | F798-0696 |
| Compound Name: | methyl 4-[2-({4-[(furan-2-yl)methyl]-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C22 H17 N5 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nnc2N(Cc3ccco3)C(c3c(ccs3)n12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4517 |
| logD: | 3.4516 |
| logSw: | -3.7631 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.402 |
| InChI Key: | QTCNSJWKFPLPHU-UHFFFAOYSA-N |