N-(2-bromophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Chemical Structure Depiction of
N-(2-bromophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
N-(2-bromophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide
Compound characteristics
Compound ID: | M447-0124 |
Compound Name: | N-(2-bromophenyl)-2-[3-oxo-8-(pyrrolidin-1-yl)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamide |
Molecular Weight: | 474.34 |
Molecular Formula: | C18 H16 Br N7 O2 S |
Smiles: | C1CCN(C1)c1nc2c(C3=NN(CC(Nc4ccccc4[Br])=O)C(N3C=N2)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.1238 |
logD: | 3.1224 |
logSw: | -3.1607 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.354 |
InChI Key: | SPIHOLJEEIJJMI-UHFFFAOYSA-N |