N-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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-(2,3-dimethylphenyl)-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: | M447-0121 |
Compound Name: | N-(2,3-dimethylphenyl)-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: | 423.5 |
Molecular Formula: | C20 H21 N7 O2 S |
Smiles: | Cc1cccc(c1C)NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4916 |
logD: | 3.4902 |
logSw: | -3.6271 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.354 |
InChI Key: | XSMBMMNVKNLSCE-UHFFFAOYSA-N |