methyl 3-{[7-acetyl-3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-{[7-acetyl-3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-4-methoxybenzoate
methyl 3-{[7-acetyl-3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-3832 |
| Compound Name: | methyl 3-{[7-acetyl-3-(3-chlorophenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]methyl}-4-methoxybenzoate |
| Molecular Weight: | 554.02 |
| Molecular Formula: | C27 H24 Cl N3 O6 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(Cc4cc(ccc4OC)C(=O)OC)c3sc2C1)=O)c1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2103 |
| logD: | 4.2103 |
| logSw: | -4.7409 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.961 |
| InChI Key: | ZTTLPGMSJUAEIS-UHFFFAOYSA-N |