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-[(4-methylphenyl)methyl]acetamide
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-[(4-methylphenyl)methyl]acetamide
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-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L397-0526 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C22 H19 N5 O3 S2 |
| Smiles: | Cc1ccc(CNC(CN2C(N3C(=N2)N(Cc2cccs2)C(c2c3ccs2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2849 |
| logD: | 3.2849 |
| logSw: | -3.4663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.443 |
| InChI Key: | UMVUGVYZYOPODB-UHFFFAOYSA-N |