N-(2,3-dihydro-1H-inden-5-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-1H-inden-5-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-1H-inden-5-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: | L397-0584 |
| Compound Name: | N-(2,3-dihydro-1H-inden-5-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: | 477.56 |
| Molecular Formula: | C23 H19 N5 O3 S2 |
| Smiles: | C1Cc2ccc(cc2C1)NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0968 |
| logD: | 4.0968 |
| logSw: | -4.2299 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.408 |
| InChI Key: | IHAPGKUSYLTCJU-UHFFFAOYSA-N |