N-[1-(adamantan-1-yl)ethyl]-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-[1-(adamantan-1-yl)ethyl]-2-(5-ethyl-2-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-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: | C785-3042 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-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: | 452.62 |
| Molecular Formula: | C25 H32 N4 O2 S |
| Smiles: | CCC1=NN(CC(NC(C)C23CC4CC(CC(C4)C3)C2)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7426 |
| logD: | 4.7426 |
| logSw: | -4.4927 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.154 |
| InChI Key: | JZZQXGNEXVWSMA-SBNSQYLKSA-N |