7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0057 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 549.67 |
| Molecular Formula: | C33 H28 F N3 O2 S |
| Smiles: | Cc1ccc(C)c(CSC2=Nc3cc(ccc3C(N2c2cccc(c2)F)=O)C(N2CCc3ccccc3C2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4976 |
| logD: | 6.4972 |
| logSw: | -5.6273 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.47 |
| InChI Key: | BWOJCZUIHAWPET-UHFFFAOYSA-N |