ethyl 4-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
ethyl 4-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | C728-0346 |
| Compound Name: | ethyl 4-[2-(7-acetyl-2,4-dioxo-3-phenyl-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 546.6 |
| Molecular Formula: | C28 H26 N4 O6 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4272 |
| logD: | 3.4272 |
| logSw: | -3.7667 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.06 |
| InChI Key: | XOLIFXFZKZCDDH-UHFFFAOYSA-N |