HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 9917618Generated: November 1, 2026
1-[4-[5-[[Benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxyurea
https://huagongshe.com/en/chemical/9917618
Identifiers & Physical Properties
| CAS No. | 308831-77-8 |
|---|
| Molecular formula | C35H29F2N5O4S |
|---|
| Average molar mass | 653.7 g/mol |
|---|
| Monoisotopic mass | 653.19083192 g/mol |
|---|
| SMILES | CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F |
|---|
| InChIKey | NOTUERNGVKFNTG-UHFFFAOYSA-N |
|---|
| PubChem CID | 9917618 |
|---|
| ChEMBL | CHEMBL277214 |
|---|
| DTXSID | DTXSID201099559 |
|---|
Chemical & Physical Properties
| XLogP | 5.6 |
|---|
| Topological polar surface area | 133 |
|---|
| Hydrogen bond donors | 3 |
|---|
| Hydrogen bond acceptors | 8 |
|---|
| Rotatable bonds | 9 |
|---|
| Heavy atoms | 47 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 1,080 |
|---|
![1-[4-[5-[[Benzyl(methyl)amino]methyl]-1-[(2,6-difluorophenyl)methyl]-2,4-dioxo-3-phenylthieno[2,3-d]pyrimidin-6-yl]phenyl]-3-hydroxyurea molecular structure](/img/chemical/9917618.png)