4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
Chemical Structure Depiction of
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | E596-0676 |
| Compound Name: | 4-[4-(butan-2-yl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | CCC(C)N1C(c2c(ccs2)n2c(CCCC(NCCc3c[nH]c4ccccc34)=O)nnc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.929 |
| logD: | 2.929 |
| logSw: | -3.2823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.485 |
| InChI Key: | ZMFMIGQVQQGXKB-INIZCTEOSA-N |