N-(4-bromo-2-fluorophenyl)-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}acetamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-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}acetamide
N-(4-bromo-2-fluorophenyl)-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}acetamide
Compound characteristics
| Compound ID: | C200-8790 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-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}acetamide |
| Molecular Weight: | 534.38 |
| Molecular Formula: | C20 H13 Br F N5 O3 S2 |
| Smiles: | C(c1cccs1)N1C2=NN(CC(Nc3ccc(cc3F)[Br])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9642 |
| logD: | 3.9612 |
| logSw: | -4.1585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.424 |
| InChI Key: | CEHMXHARHUAPML-UHFFFAOYSA-N |