3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxobutyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxobutyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxobutyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C242-1049 |
| Compound Name: | 3-(3,4-dichlorophenyl)-1-(3,3-dimethyl-2-oxobutyl)-5,6-dimethylthieno[2,3-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 439.36 |
| Molecular Formula: | C20 H20 Cl2 N2 O3 S |
| Smiles: | Cc1c2C(N(C(N(CC(C(C)(C)C)=O)c2sc1C)=O)c1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2588 |
| logD: | 5.2588 |
| logSw: | -6.0784 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.625 |
| InChI Key: | HOTUDRZUZKAOEU-UHFFFAOYSA-N |