7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D353-0752 |
| Compound Name: | 7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 415.45 |
| Molecular Formula: | C17 H13 N5 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4ccc5c(c4)OCO5)o3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.703 |
| logD: | 2.6999 |
| logSw: | -3.0676 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.387 |
| InChI Key: | AGEMILMEBQWVTM-UHFFFAOYSA-N |