N-[1-(adamantan-1-yl)ethyl]-3-(4-methyl-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-methyl-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-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide
Compound characteristics
| Compound ID: | F084-0051 |
| Compound Name: | N-[1-(adamantan-1-yl)ethyl]-3-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)propanamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | CC(C12CC3CC(CC(C3)C2)C1)NC(CCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9156 |
| logD: | 2.9156 |
| logSw: | -3.5658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.43 |
| InChI Key: | VVJIKRZCDKOHNS-HDDXYUSQSA-N |