3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | F084-0728 |
| Compound Name: | 3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C21 H23 N5 O2 S2 |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3cccc(c3)SC)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5343 |
| logD: | 3.5343 |
| logSw: | -3.8025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.124 |
| InChI Key: | USKSYJLGNPCTJM-UHFFFAOYSA-N |