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-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)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-ethyl-6-methylphenyl)acetamide
Compound characteristics
| Compound ID: | L397-0575 |
| 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-ethyl-6-methylphenyl)acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C23 H21 N5 O3 S2 |
| Smiles: | CCc1cccc(C)c1NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9524 |
| logD: | 3.9524 |
| logSw: | -3.8266 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.726 |
| InChI Key: | OZHNLLKACWQJEP-UHFFFAOYSA-N |