N-[2-(adamantan-1-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Chemical Structure Depiction of
N-[2-(adamantan-1-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[2-(adamantan-1-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
Compound characteristics
| Compound ID: | C200-2892 |
| Compound Name: | N-[2-(adamantan-1-yl)ethyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 453.61 |
| Molecular Formula: | C24 H31 N5 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCC34CC5CC(CC(C5)C4)C3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9253 |
| logD: | 2.9253 |
| logSw: | -3.5426 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.108 |
| InChI Key: | KGUQMCQZYBOEOZ-UHFFFAOYSA-N |