HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Amino-2-[(phenylmethyl)sulfonyl]-7(8H)-pteridinone
![4-Amino-2-[(phenylmethyl)sulfonyl]-7(8H)-pteridinone molecular structure](/img/chemical/22505995.png)
Identifiers & Physical Properties
| Molecular formula | C13H11N5O3S |
|---|---|
| Average molar mass | 317.33 g/mol |
| SMILES | Nc1nc(S(=O)(=O)Cc2ccccc2)nc2[nH]c(=O)cnc12 |
| InChIKey | UFMDFMPLTWZIQZ-UHFFFAOYSA-N |
| PubChem CID | 22505995 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 136 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 553 |