N-[3-(methylsulfanyl)phenyl]-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-[3-(methylsulfanyl)phenyl]-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-[3-(methylsulfanyl)phenyl]-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: | M447-0041 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-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: | 441.53 |
| Molecular Formula: | C19 H19 N7 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(CN1C(N2C=Nc3c(C2=N1)sc(n3)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.322 |
| logD: | 3.3206 |
| logSw: | -3.6646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.051 |
| InChI Key: | PEYKNPIEGAGPKM-UHFFFAOYSA-N |