methyl 4-[2-(3-butyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(3-butyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetamido]benzoate
methyl 4-[2-(3-butyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | L935-0550 |
| Compound Name: | methyl 4-[2-(3-butyl-4-oxo-7-phenyl-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetamido]benzoate |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Smiles: | CCCCN1C=Nc2c(cn(CC(Nc3ccc(cc3)C(=O)OC)=O)c2C1=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1081 |
| logD: | 4.108 |
| logSw: | -4.0324 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.258 |
| InChI Key: | DPONVFINKGMJMY-UHFFFAOYSA-N |