1-(methylsulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(methylsulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(methylsulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
Compound ID: | F401-0100 |
Compound Name: | 1-(methylsulfanyl)-4-propylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
Molecular Weight: | 280.37 |
Molecular Formula: | C11 H12 N4 O S2 |
Smiles: | CCCN1C(c2c(ccs2)n2c1nnc2SC)=O |
Stereo: | ACHIRAL |
logP: | 2.413 |
logD: | 2.413 |
logSw: | -2.4344 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.852 |
InChI Key: | JWGHRWIYXTXGDD-UHFFFAOYSA-N |