2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C201-0036 |
| Compound Name: | 2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C18 H14 N2 O2 S |
| Smiles: | CSc1ccc(cc1)C1NC(C2Cc3ccccc3OC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9323 |
| logD: | 3.807 |
| logSw: | -4.1621 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.717 |
| InChI Key: | FQBNTEJOUTZBBT-UHFFFAOYSA-N |