2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F798-0233 |
| Compound Name: | 2-{[4-(3-methylbutyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 473.64 |
| Molecular Formula: | C21 H23 N5 O2 S3 |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c1nnc2SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5451 |
| logD: | 4.5451 |
| logSw: | -4.2034 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.73 |
| InChI Key: | YERWKBQUEKRWSU-UHFFFAOYSA-N |