N-(2-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfanyl}phenyl)acetamide
Chemical Structure Depiction of
N-(2-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfanyl}phenyl)acetamide
N-(2-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfanyl}phenyl)acetamide
Compound characteristics
| Compound ID: | 8010-4856 |
| Compound Name: | N-(2-{[2-(4-methylphenyl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-6-yl]sulfanyl}phenyl)acetamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C27 H20 N2 O3 S |
| Smiles: | CC(Nc1ccccc1Sc1ccc2C(N(C(c3cccc1c23)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6056 |
| logD: | 4.6056 |
| logSw: | -4.6858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.535 |
| InChI Key: | IPCRUEQPMDNBMA-UHFFFAOYSA-N |