N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-1030 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCC(C(NCCc1ccc(c(c1)OCC)OCC)=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4453 |
| logD: | 3.4453 |
| logSw: | -3.6889 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.459 |
| InChI Key: | AFIAJHYZDKXGIX-SFHVURJKSA-N |