HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636938Generated: November 1, 2026
(2S)-2-{[6-{2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]hydrazino}-5-fluoro-2-(methyloxy)-4-pyrimidinyl]amino}-N,N-dimethylbutanamide
https://huagongshe.com/en/chemical/86636938
Identifiers & Physical Properties
| Molecular formula | C28H40FN7O5 |
|---|
| Average molar mass | 573.7 g/mol |
|---|
| SMILES | CC[C@H](Nc1nc(OC)nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c1F)C(=O)N(C)C |
|---|
| InChIKey | LRSSTNJUVILCLM-YADHBBJMSA-N |
|---|
| PubChem CID | 86636938 |
|---|
Chemical & Physical Properties
| XLogP | 4.8 |
|---|
| Topological polar surface area | 138 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 10 |
|---|
| Rotatable bonds | 15 |
|---|
| Heavy atoms | 41 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 813 |
|---|
![(2S)-2-{[6-{2-[(2R)-3-cyclopentyl-2-({formyl[(phenylmethyl)oxy]amino}methyl)propanoyl]hydrazino}-5-fluoro-2-(methyloxy)-4-pyrimidinyl]amino}-N,N-dimethylbutanamide molecular structure](/img/chemical/86636938.png)