2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[4,5-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[4,5-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-bromophenyl)acetamide
2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[4,5-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | C201-1598 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,3]thiazolo[4,5-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 502.39 |
| Molecular Formula: | C20 H20 Br N7 O2 S |
| Smiles: | C1CCCN(CC1)c1nc2C3=NN(CC(Nc4ccc(cc4)[Br])=O)C(N3C=Nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1582 |
| logD: | 4.1577 |
| logSw: | -4.0331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.186 |
| InChI Key: | ABFGRWHTRUOYNE-UHFFFAOYSA-N |