N-cyclohexyl-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-methylacetamide
Chemical Structure Depiction of
N-cyclohexyl-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-methylacetamide
N-cyclohexyl-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-methylacetamide
Compound characteristics
| Compound ID: | C258-0550 |
| Compound Name: | N-cyclohexyl-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-methylacetamide |
| Molecular Weight: | 493.67 |
| Molecular Formula: | C28 H35 N3 O3 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(N(C)C2CCCCC2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8213 |
| logD: | 5.8213 |
| logSw: | -5.3495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.305 |
| InChI Key: | LJMBHDMNDPJNRR-UHFFFAOYSA-N |