7-({[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Chemical Structure Depiction of
7-({[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
7-({[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Compound characteristics
| Compound ID: | Y205-8959 |
| Compound Name: | 7-({[5-(2H-1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C18 H15 N5 O3 S2 |
| Smiles: | CCn1c(c2ccc3c(c2)OCO3)nnc1SCC1=CC(N2C=CSC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4633 |
| logD: | 2.4633 |
| logSw: | -2.8384 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.036 |
| InChI Key: | QQTKNIZBNYOHLI-UHFFFAOYSA-N |