3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L927-0285 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C25 H20 N4 O5 S |
| Smiles: | Cc1ccc(cc1C)c1nc(CN2C(N(Cc3ccc4c(c3)OCO4)C(c3c2ccs3)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.7891 |
| logD: | 5.7891 |
| logSw: | -5.4852 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.744 |
| InChI Key: | SIBUUECUWVFMDK-UHFFFAOYSA-N |