N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | L397-0568 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 495.53 |
| Molecular Formula: | C22 H17 N5 O5 S2 |
| Smiles: | C(c1cccs1)N1C2=NN(CC(Nc3ccc4c(c3)OCCO4)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2563 |
| logD: | 2.2563 |
| logSw: | -2.9635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.945 |
| InChI Key: | SEXWVUCTHBWMAU-UHFFFAOYSA-N |