2-(2-methylpropyl)-7-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
2-(2-methylpropyl)-7-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
2-(2-methylpropyl)-7-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | D353-0403 |
| Compound Name: | 2-(2-methylpropyl)-7-({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C21 H23 N5 O5 S2 |
| Smiles: | CC(C)CC1=NN2C(=NC(CSc3nnc(c4cc(c(c(c4)OC)OC)OC)o3)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.2842 |
| logD: | 3.283 |
| logSw: | -3.6094 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.249 |
| InChI Key: | QIAYAIVWCPVIBB-UHFFFAOYSA-N |