3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1123 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-1-[(2,4,6-trimethylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | Cc1cc(C)c(CN2C(N(C(c3c(C)c(C)sc23)=O)c2ccc3c(c2)OCO3)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.9723 |
| logD: | 5.9723 |
| logSw: | -5.5612 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.222 |
| InChI Key: | YLVLQKNRRQUBFU-UHFFFAOYSA-N |