N-[(3,4-dimethoxyphenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-4278 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCc1cc2c(cc3C(N(CCCC(NCc4ccc(c(c4)OC)OC)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0459 |
| logD: | 2.0437 |
| logSw: | -2.7792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.413 |
| InChI Key: | UEVZBZKTRBJADX-UHFFFAOYSA-N |