N-(butan-2-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-(butan-2-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-(butan-2-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: | L397-0569 |
| Compound Name: | N-(butan-2-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: | 417.51 |
| Molecular Formula: | C18 H19 N5 O3 S2 |
| Smiles: | CCC(C)NC(CN1C(N2C(=N1)N(Cc1cccs1)C(c1c2ccs1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.334 |
| logD: | 2.334 |
| logSw: | -2.6812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.157 |
| InChI Key: | WUOMUNBXRSQMAQ-NSHDSACASA-N |