2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Chemical Structure Depiction of
2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide
Compound characteristics
| Compound ID: | C785-1656 |
| Compound Name: | 2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}acetamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | CC1=NN(CC(NCCc2ccc(cc2)SC)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7895 |
| logD: | 2.7895 |
| logSw: | -3.2988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.707 |
| InChI Key: | JMUGJSCXBWYABB-UHFFFAOYSA-N |