2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0017 |
| Compound Name: | 2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 338.45 |
| Molecular Formula: | C18 H14 N2 O S2 |
| Smiles: | CSc1ccc(cc1)C1NC(C2Cc3ccccc3OC=2N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7405 |
| logD: | 4.2912 |
| logSw: | -4.5894 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6349 |
| InChI Key: | QKWHCCATWVLEEU-UHFFFAOYSA-N |