N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-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-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-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: | C785-3077 |
| Compound Name: | N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-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: | 443.61 |
| Molecular Formula: | C23 H33 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN2C(C)CCCC2C)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9743 |
| logD: | -0.1845 |
| logSw: | -3.0927 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.337 |
| InChI Key: | YWDKGXOJGOPLJT-UHFFFAOYSA-N |