2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
Compound ID: | C728-0268 |
Compound Name: | 2-[7-acetyl-2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethoxyphenyl)acetamide |
Molecular Weight: | 546.65 |
Molecular Formula: | C29 H30 N4 O5 S |
Smiles: | CCOc1ccc(cc1)NC(CN1C(N(CCc2ccccc2)C(c2c3CCN(Cc3sc12)C(C)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1706 |
logD: | 4.1706 |
logSw: | -4.2653 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.019 |
InChI Key: | VLRMMHYVTWPNEZ-UHFFFAOYSA-N |