N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1486 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CC1=NN(CC(NCCc2ccc(c(c2)OC)OC)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5873 |
| logD: | 1.5873 |
| logSw: | -2.5556 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.968 |
| InChI Key: | VDGKJVIZVBFTMT-UHFFFAOYSA-N |