1-(4-fluorophenyl)-9-methoxy-2-[4-(methylsulfanyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Chemical Structure Depiction of
1-(4-fluorophenyl)-9-methoxy-2-[4-(methylsulfanyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
1-(4-fluorophenyl)-9-methoxy-2-[4-(methylsulfanyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione
Compound characteristics
| Compound ID: | C201-0077 |
| Compound Name: | 1-(4-fluorophenyl)-9-methoxy-2-[4-(methylsulfanyl)phenyl]-1,2,3,5-tetrahydro-4H-[1]benzopyrano[2,3-d]pyrimidine-4-thione |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C25 H21 F N2 O2 S2 |
| Smiles: | COc1cccc2CC3=C(N(C(c4ccc(cc4)SC)NC3=S)c3ccc(cc3)F)Oc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2237 |
| logD: | 6.2229 |
| logSw: | -5.8675 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.0104 |
| InChI Key: | WSPKNVWCBPLPGT-QHCPKHFHSA-N |