HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57786643Generated: October 26, 2026
methyl 2-methyl-2-[[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]carbamoylamino]propanoate
https://huagongshe.com/en/chemical/57786643
Identifiers & Physical Properties
| Molecular formula | C21H26N4O4 |
|---|
| Average molar mass | 398.5 g/mol |
|---|
| SMILES | COC(=O)C(C)(C)NC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 |
|---|
| InChIKey | QJQDPQCAMRJXPJ-UHFFFAOYSA-N |
|---|
| PubChem CID | 57786643 |
|---|
Chemical & Physical Properties
| XLogP | 2.1 |
|---|
| Topological polar surface area | 109 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 5 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 29 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 741 |
|---|
![methyl 2-methyl-2-[[3-[(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)methyl]phenyl]carbamoylamino]propanoate molecular structure](/img/chemical/57786643.png)