2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-propylacetamide
Chemical Structure Depiction of
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-propylacetamide
2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-propylacetamide
Compound characteristics
| Compound ID: | L397-0480 |
| Compound Name: | 2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)-N-propylacetamide |
| Molecular Weight: | 363.44 |
| Molecular Formula: | C16 H21 N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(NCCC)=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9336 |
| logD: | 1.9336 |
| logSw: | -2.677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.788 |
| InChI Key: | ISJIZEDKANFMJY-UHFFFAOYSA-N |