methyl 2-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
methyl 2-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | D243-0018 |
| Compound Name: | methyl 2-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d][1,2,3]triazin-3(4H)-yl)acetamido]benzoate |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | COC(c1ccccc1NC(CN1C(c2c3CCCCc3sc2N=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2588 |
| logD: | 3.2525 |
| logSw: | -3.6455 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.381 |
| InChI Key: | PHXIPBSHPLRTKQ-UHFFFAOYSA-N |