N-[1-(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-[1-(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-[1-(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: | E596-0060 |
| Compound Name: | N-[1-(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: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0838 |
| logD: | 3.0838 |
| logSw: | -3.6173 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.43 |
| InChI Key: | IYOPJHPKOWNXIR-IOAHRDFVSA-N |