methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate
Compound characteristics
| Compound ID: | C200-3694 |
| Compound Name: | methyl 3-({[7-acetyl-3-(3-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}methyl)-4-methoxybenzoate |
| Molecular Weight: | 565.67 |
| Molecular Formula: | C28 H27 N3 O6 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCc1cc(ccc1OC)C(=O)OC)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4839 |
| logD: | 4.4839 |
| logSw: | -4.5043 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.46 |
| InChI Key: | HXHZLXCLUPYJRF-UHFFFAOYSA-N |