N-(3-chloro-2-methylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
N-(3-chloro-2-methylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L112-0716 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)quinazolin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 475.01 |
| Molecular Formula: | C26 H23 Cl N4 O S |
| Smiles: | Cc1c(cccc1[Cl])NC(CSc1c2ccccc2nc(n1)N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7 |
| logD: | 6.6954 |
| logSw: | -6.2826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.877 |
| InChI Key: | QMRWVQCNYWGIBD-UHFFFAOYSA-N |