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-methyl-N-phenylacetamide
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-methyl-N-phenylacetamide
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-methyl-N-phenylacetamide
Compound characteristics
| Compound ID: | L397-0574 |
| 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-methyl-N-phenylacetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C21 H17 N5 O3 S2 |
| Smiles: | CN(C(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4802 |
| logD: | 2.4802 |
| logSw: | -2.5384 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.085 |
| InChI Key: | ZGHSUIAKERQSMO-UHFFFAOYSA-N |