N-(3-chlorophenyl)-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-(3-chlorophenyl)-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-(3-chlorophenyl)-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: | C258-0530 |
| Compound Name: | N-(3-chlorophenyl)-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: | 508.04 |
| Molecular Formula: | C27 H26 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(Nc2cccc(c2)[Cl])=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8446 |
| logD: | 6.8445 |
| logSw: | -6.3811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.508 |
| InChI Key: | DTNZYKHFFLHGPI-UHFFFAOYSA-N |