methyl 4-[2-(4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)butanamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)butanamido]benzoate
methyl 4-[2-(4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)butanamido]benzoate
Compound characteristics
| Compound ID: | F074-0826 |
| Compound Name: | methyl 4-[2-(4-oxopyrido[3',2':4,5]thieno[3,2-d]pyrimidin-3(4H)-yl)butanamido]benzoate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C21 H18 N4 O4 S |
| Smiles: | [H]c1cc([H])nc2c1c1c(C(N(C=N1)C(CC)C(Nc1ccc(cc1)C(=O)OC)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.94 |
| logD: | 2.9398 |
| logSw: | -3.3858 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.867 |
| InChI Key: | XNAAKEQCRZFELN-HNNXBMFYSA-N |