9-methyl-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
9-methyl-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
9-methyl-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C766-0227 |
| Compound Name: | 9-methyl-2-[4-(methylsulfanyl)phenyl]-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 352.48 |
| Molecular Formula: | C19 H16 N2 O S2 |
| Smiles: | Cc1cccc2CC3=C(N=C(c4ccc(cc4)SC)NC3=S)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 5.2018 |
| logD: | 4.7525 |
| logSw: | -5.2122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.3192 |
| InChI Key: | OHCGSAWNJPJILO-UHFFFAOYSA-N |