2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-phenylethyl)acetamide
2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-phenylethyl)acetamide
Compound characteristics
Compound ID: | C200-7939 |
Compound Name: | 2-{1,5-dioxo-4-[(thiophen-2-yl)methyl]-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl}-N-(2-phenylethyl)acetamide |
Molecular Weight: | 465.55 |
Molecular Formula: | C22 H19 N5 O3 S2 |
Smiles: | C(CNC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.6362 |
logD: | 2.6362 |
logSw: | -2.9957 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.285 |
InChI Key: | SDLOYJXUXKBZSA-UHFFFAOYSA-N |