2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F425-0384 |
| Compound Name: | 2-({[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-3-(3-methylbutyl)thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C21 H20 N4 O4 S2 |
| Smiles: | CC(C)CCN1C(=Nc2ccsc2C1=O)SCc1nc(c2ccc3c(c2)OCO3)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.4327 |
| logD: | 5.4327 |
| logSw: | -5.4103 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.498 |
| InChI Key: | XRXWHDZFGQVRDY-UHFFFAOYSA-N |