7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0147 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C33 H28 F N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCc1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 6.5165 |
| logD: | 6.5122 |
| logSw: | -5.6251 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.47 |
| InChI Key: | OZGGVBRGROMQIF-UHFFFAOYSA-N |