1-(methylsulfanyl)-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(methylsulfanyl)-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(methylsulfanyl)-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0536 |
| Compound Name: | 1-(methylsulfanyl)-4-[(4-propoxyphenyl)methyl]thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C18 H18 N4 O2 S2 |
| Smiles: | CCCOc1ccc(CN2C(c3c(ccs3)n3c2nnc3SC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.185 |
| logD: | 4.185 |
| logSw: | -4.0545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.02 |
| InChI Key: | AWBKXNRWMAUWOI-UHFFFAOYSA-N |