N-[(4-ethoxyphenyl)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-[(4-ethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(4-ethoxyphenyl)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: | C785-3431 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | CCOc1ccc(CNC(CN2C(c3cc4c(cc(C)s4)n3C=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6141 |
| logD: | 2.6141 |
| logSw: | -2.9071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.297 |
| InChI Key: | ZWDJRKWHKXWEHV-UHFFFAOYSA-N |