7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0149 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C34 H31 N3 O2 S |
| Smiles: | Cc1ccc(CSC2=Nc3cc(ccc3C(N2c2cc(C)cc(C)c2)=O)C(N2CCc3ccccc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3757 |
| logD: | 6.3714 |
| logSw: | -5.4964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.47 |
| InChI Key: | PNYCPYUQYYXILM-UHFFFAOYSA-N |