N-[1-(adamantan-1-yl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[1-(adamantan-1-yl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1589 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CN1C(c2cc3c(ccs3)n2C(C)=N1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8158 |
| logD: | 3.8158 |
| logSw: | -4.0041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.062 |
| InChI Key: | YFEHMHSEHQRYFB-GLISGAFZSA-N |