2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
Chemical Structure Depiction of
2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol
Compound characteristics
| Compound ID: | G807-0148 |
| Compound Name: | 2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-5-(2-hydroxyethyl)-6-methylpyrimidin-4-ol |
| Molecular Weight: | 388.4 |
| Molecular Formula: | C17 H16 N4 O5 S |
| Smiles: | Cc1c(CCO)c(nc(n1)SCc1nc(c2ccc3c(c2)OCO3)no1)O |
| Stereo: | ACHIRAL |
| logP: | 2.3821 |
| logD: | 2.3362 |
| logSw: | -2.4652 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.911 |
| InChI Key: | ITBJTHPCIVTZAL-UHFFFAOYSA-N |