2-(benzylsulfanyl)-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one
2-(benzylsulfanyl)-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0152 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3,5-dimethylphenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 531.68 |
| Molecular Formula: | C33 H29 N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2cc(ccc2C1=O)C(N1CCc2ccccc2C1)=O)SCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9524 |
| logD: | 5.948 |
| logSw: | -5.4763 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.47 |
| InChI Key: | HKMSKZSVKGBBKX-UHFFFAOYSA-N |