2-methyl-5-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Chemical Structure Depiction of
2-methyl-5-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
2-methyl-5-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | D353-0406 |
| Compound Name: | 2-methyl-5-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-one |
| Molecular Weight: | 430.44 |
| Molecular Formula: | C19 H18 N4 O6 S |
| Smiles: | CC1=CC2=NC(CSc3nnc(c4cc(c(c(c4)OC)OC)OC)o3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3296 |
| logD: | 1.3296 |
| logSw: | -1.8911 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.506 |
| InChI Key: | IBQLVHKTHPOCND-UHFFFAOYSA-N |