7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G859-0331 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(3-methoxyphenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C33 H29 N3 O3 S |
| Smiles: | Cc1ccc(CSC2=Nc3cc(ccc3C(N2c2cccc(c2)OC)=O)C(N2CCc3ccccc3C2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5043 |
| logD: | 5.5042 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.014 |
| InChI Key: | IREMUPLHOYOVLP-UHFFFAOYSA-N |