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-[(oxolan-2-yl)methyl]acetamide
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-[(oxolan-2-yl)methyl]acetamide
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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C258-0544 |
| 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-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 481.61 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Smiles: | Cc1ccc(cc1C)N1C(c2c3CCCCCc3sc2N(CC(NCC2CCCO2)=O)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1242 |
| logD: | 4.1242 |
| logSw: | -4.3112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.484 |
| InChI Key: | SNCNQHLGGGQKEI-LJQANCHMSA-N |