N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
| Compound ID: | L386-0252 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[7-(4-methylphenyl)-3-oxothieno[2,3-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
| Molecular Weight: | 459.48 |
| Molecular Formula: | C23 H17 N5 O4 S |
| Smiles: | Cc1ccc(cc1)c1csc2C3=NN(CC(Nc4ccc5c(c4)OCO5)=O)C(N3C=Nc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1348 |
| logD: | 4.1347 |
| logSw: | -4.3791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.447 |
| InChI Key: | QUBDBNMDCNFWOF-UHFFFAOYSA-N |