2-ethyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-ethyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-ethyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D344-9229 |
| Compound Name: | 2-ethyl-7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 416.43 |
| Molecular Formula: | C16 H12 N6 O4 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3nnc(c4ccc(cc4)[N+]([O-])=O)o3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.7865 |
| logD: | 2.7834 |
| logSw: | -3.1799 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 101.653 |
| InChI Key: | CFOBJFABNFLERN-UHFFFAOYSA-N |