3-(4-ethoxyphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(4-ethoxyphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(4-ethoxyphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0591 |
| Compound Name: | 3-(4-ethoxyphenyl)-1-[(2,4,6-trimethylphenyl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 488.65 |
| Molecular Formula: | C29 H32 N2 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(Cc2c(C)cc(C)cc2C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.339 |
| logD: | 7.339 |
| logSw: | -5.5485 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.482 |
| InChI Key: | JIZSDYOIJTVTKB-UHFFFAOYSA-N |