7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0328 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C33 H29 N3 O3 S |
| Smiles: | Cc1ccccc1CSC1=Nc2cc(ccc2C(N1c1cccc(c1)OC)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1587 |
| logD: | 6.158 |
| logSw: | -5.4714 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.014 |
| InChI Key: | HGWPXIQCLNKRMC-UHFFFAOYSA-N |