3-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
3-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
3-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K305-0403 |
| Compound Name: | 3-benzyl-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,N,5-trimethyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C27 H28 N4 O4 S |
| Smiles: | Cc1cccc(C)c1NC(CN1C(N(Cc2ccccc2)C(c2c(C)c(C(N(C)C)=O)sc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4378 |
| logD: | 3.4378 |
| logSw: | -3.7913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.473 |
| InChI Key: | NSHYXSTYDLUWKA-UHFFFAOYSA-N |