N-(4-bromo-3-methylphenyl)-2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamide
N-(4-bromo-3-methylphenyl)-2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | L397-0463 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(4-butyl-1,5-dioxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-2(1H)-yl)acetamide |
| Molecular Weight: | 490.38 |
| Molecular Formula: | C20 H20 Br N5 O3 S |
| Smiles: | CCCCN1C2=NN(CC(Nc3ccc(c(C)c3)[Br])=O)C(N2c2ccsc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4634 |
| logD: | 4.4634 |
| logSw: | -4.1121 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.353 |
| InChI Key: | KRTDHIKAGONDEM-UHFFFAOYSA-N |