ethyl 2-[2-(8,9-dimethyl-3-oxothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 2-[2-(8,9-dimethyl-3-oxothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
ethyl 2-[2-(8,9-dimethyl-3-oxothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | F815-0138 |
| Compound Name: | ethyl 2-[2-(8,9-dimethyl-3-oxothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)acetamido]benzoate |
| Molecular Weight: | 425.46 |
| Molecular Formula: | C20 H19 N5 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N2C=Nc3c(C2=N1)c(C)c(C)s3)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0293 |
| logD: | 3.0252 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.795 |
| InChI Key: | FMGISUJLZOJPNZ-UHFFFAOYSA-N |