N-benzyl-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-ethylacetamide
N-benzyl-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-ethylacetamide
Compound characteristics
| Compound ID: | C258-0549 |
| Compound Name: | N-benzyl-2-[3-(3,4-dimethylphenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-ethylacetamide |
| Molecular Weight: | 515.67 |
| Molecular Formula: | C30 H33 N3 O3 S |
| Smiles: | CCN(Cc1ccccc1)C(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9902 |
| logD: | 5.9902 |
| logSw: | -5.3135 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.039 |
| InChI Key: | NYSGXEPEXHXOSN-UHFFFAOYSA-N |