methyl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K305-0410 |
| Compound Name: | methyl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | Cc1cccc(C)c1NC(CN1C(N(C(c2c(C)c(C(=O)OC)sc12)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.574 |
| logD: | 3.574 |
| logSw: | -3.78 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.035 |
| InChI Key: | IBNZKKGMBSTHIB-UHFFFAOYSA-N |