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-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]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-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L397-0563 |
| 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-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 469.51 |
| Molecular Formula: | C21 H16 F N5 O3 S2 |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8905 |
| logD: | 2.8905 |
| logSw: | -3.2764 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.443 |
| InChI Key: | NJJRFIDHGQIYGQ-UHFFFAOYSA-N |