ethyl 1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0103 |
| Compound Name: | ethyl 1-[(2,5-dimethylphenyl)methyl]-3-(4-ethylphenyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCN(Cc3sc2N(Cc2cc(C)ccc2C)C1=O)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4471 |
| logD: | 6.4471 |
| logSw: | -5.5804 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.741 |
| InChI Key: | SPSAUZPOJBSVLW-UHFFFAOYSA-N |