N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1954 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | CCC1=NN(CC(NC(C)c2ccc3c(c2)OCCO3)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1337 |
| logD: | 2.1337 |
| logSw: | -2.9094 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.944 |
| InChI Key: | XQGLBZXCDVTJRF-ZDUSSCGKSA-N |