N-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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-[(4-methylphenyl)methyl]-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: | M447-0066 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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: | Cc1ccc(CNC(CN2C(N3C=Nc4c(C3=N2)sc(n4)N2CCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8622 |
| logD: | 2.8607 |
| logSw: | -3.2091 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.374 |
| InChI Key: | ZQDPRBNJYUVJSQ-UHFFFAOYSA-N |