7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0054 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 539.6 |
| Molecular Formula: | C31 H23 F2 N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)F)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3923 |
| logD: | 5.3922 |
| logSw: | -5.8077 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.47 |
| InChI Key: | KUTJYAVAWODUQE-UHFFFAOYSA-N |