N-[4-(4-chlorophenoxy)phenyl]-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-[4-(4-chlorophenoxy)phenyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide
N-[4-(4-chlorophenoxy)phenyl]-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: | E596-0003 |
| Compound Name: | N-[4-(4-chlorophenoxy)phenyl]-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C24 H20 Cl N5 O3 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCCC(Nc3ccc(cc3)Oc3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0535 |
| logD: | 4.0535 |
| logSw: | -4.5868 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.659 |
| InChI Key: | SBBVPTQAFKWHGN-UHFFFAOYSA-N |