N-[1-(adamantan-1-yl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
N-[1-(adamantan-1-yl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Compound characteristics
| Compound ID: | F084-0716 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide |
| Molecular Weight: | 481.66 |
| Molecular Formula: | C26 H35 N5 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(NC(C)C34CC5CC(CC(C5)C4)C3)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.417 |
| logD: | 4.417 |
| logSw: | -3.972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.643 |
| InChI Key: | XIRGJLUXRSSSQO-BTVKBFDZSA-N |