N-[2-(1H-indol-3-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-(1H-indol-3-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-(1H-indol-3-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: | E596-0129 |
| Compound Name: | N-[2-(1H-indol-3-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: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(NCCc3c[nH]c4ccccc34)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5664 |
| logD: | 1.5664 |
| logSw: | -2.3417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.946 |
| InChI Key: | JTRSCXCRXZCXOE-UHFFFAOYSA-N |