3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chlorophenyl)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-chlorophenyl)propanamide
3-(4-butyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N-(3-chlorophenyl)propanamide
Compound characteristics
Compound ID: | F084-0681 |
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-chlorophenyl)propanamide |
Molecular Weight: | 429.93 |
Molecular Formula: | C20 H20 Cl N5 O2 S |
Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(Nc3cccc(c3)[Cl])=O)nnc12)=O |
Stereo: | ACHIRAL |
logP: | 3.827 |
logD: | 3.8267 |
logSw: | -4.1008 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 64.124 |
InChI Key: | OGBCUPJYJZFKTH-UHFFFAOYSA-N |