C18H13NO2S — CID 25158749
6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one (PubChem CID 25158749) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one.
| Compound Name | 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one |
|---|---|
| PubChem CID | 25158749 |
| Molecular Formula | C18H13NO2S |
| Molecular Weight | 307.37 g/mol |
| Exact Mass | 307.07 |
| IUPAC Name | 6-phenyl-8-thiophen-2-yl-3,4-dihydropyrano[3,4-c]pyridin-1-one |
| SMILES | O=C1OCCc2cc(-c3ccccc3)nc(-c3cccs3)c21 |
| InChI | InChI=1S/C18H13NO2S/c20-18-16-13(8-9-21-18)11-14(12-5-2-1-3-6-12)19-17(16)15-7-4-10-22-15/h1-7,10-11H,8-9H2 |
| InChIKey | NYXBJTLHBPTXRE-UHFFFAOYSA-N |
| XLogP | 4.19 |
| TPSA | 39.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 22 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 307.37 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |