N-[(2-chlorophenyl)methyl]-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]acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-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]acetamide
N-[(2-chlorophenyl)methyl]-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]acetamide
Compound characteristics
| Compound ID: | C258-0516 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-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]acetamide |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C28 H28 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(NCc2ccccc2[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4508 |
| logD: | 6.4508 |
| logSw: | -6.193 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.83 |
| InChI Key: | QJGAXBPWGVIXLO-UHFFFAOYSA-N |