2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L112-0742 |
| Compound Name: | 2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C27 H26 N4 O2 S |
| Smiles: | COc1cccc(CNC(CSc2c3ccccc3nc(n2)N2CCc3ccccc3C2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6712 |
| logD: | 5.6669 |
| logSw: | -5.7434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.441 |
| InChI Key: | OGEPTFYXVOCSDX-UHFFFAOYSA-N |