2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione
Compound characteristics
Compound ID: | F816-0549 |
Compound Name: | 2-[2-(4-methoxyphenyl)-2-oxoethyl]-4-{[4-(propan-2-yl)phenyl]methyl}-2,4-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidine-1,5-dione |
Molecular Weight: | 488.56 |
Molecular Formula: | C26 H24 N4 O4 S |
Smiles: | CC(C)c1ccc(CN2C3=NN(CC(c4ccc(cc4)OC)=O)C(N3c3ccsc3C2=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.8479 |
logD: | 4.8479 |
logSw: | -4.4968 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 69.744 |
InChI Key: | PONMIPVGIFACQV-UHFFFAOYSA-N |