C20H13NO2S — CID 53375776
4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375776) has the molecular formula C20H13NO2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.
| Compound Name | 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine |
|---|---|
| PubChem CID | 53375776 |
| Molecular Formula | C20H13NO2S |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.07 |
| IUPAC Name | 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine |
| SMILES | c1coc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1 |
| InChI | InChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(18-7-3-9-22-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2 |
| InChIKey | GNJGLGCFWTVKHY-UHFFFAOYSA-N |
| XLogP | 5.63 |
| TPSA | 35.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 24 |
| Complexity | — |
1 violation
| Rule | Value |
|---|---|
| MW ≤ 500 | 331.40 |
| LogP ≤ 5 | 5.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |