methyl 4-[2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
methyl 4-[2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C201-1213 |
| Compound Name: | methyl 4-[2-(3-oxo-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 437.48 |
| Molecular Formula: | C21 H19 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=Nc3c(C2=N1)c1CCCCc1s3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3094 |
| logD: | 3.3094 |
| logSw: | -3.7905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.834 |
| InChI Key: | ARHIBOMGZKALRZ-UHFFFAOYSA-N |