N-(2,3-dimethylcyclohexyl)-2-(5-ethyl-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-(2,3-dimethylcyclohexyl)-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-(2,3-dimethylcyclohexyl)-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3004 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 400.54 |
| Molecular Formula: | C21 H28 N4 O2 S |
| Smiles: | CCC1=NN(CC(NC2CCCC(C)C2C)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5854 |
| logD: | 3.5853 |
| logSw: | -3.7672 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.073 |
| InChI Key: | DAMORJBHGIHOES-UHFFFAOYSA-N |