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,N-diethylacetamide
Chemical Structure Depiction of
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,N-diethylacetamide
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,N-diethylacetamide
Compound characteristics
| Compound ID: | C258-0539 |
| Compound Name: | 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,N-diethylacetamide |
| Molecular Weight: | 453.6 |
| Molecular Formula: | C25 H31 N3 O3 S |
| Smiles: | CCN(CC)C(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8999 |
| logD: | 4.8999 |
| logSw: | -4.6938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.035 |
| InChI Key: | YHAIIGZJMLZPLD-UHFFFAOYSA-N |