N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-1004 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C22 H24 N4 O3 S2 |
| Smiles: | CCc1nnc(c2cc3c(ccs3)n12)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.714 |
| logD: | 2.7114 |
| logSw: | -3.0677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.887 |
| InChI Key: | LJJCPUGWNDXTSZ-UHFFFAOYSA-N |