N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3421 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | Cc1cc2c(cc3C(N(CC(NCc4ccc(c(c4)OC)OC)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.86 |
| logD: | 1.86 |
| logSw: | -2.7097 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.434 |
| InChI Key: | PDTLGCBKLNENNK-UHFFFAOYSA-N |