N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | 3347-3537 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]piperazine-1-carbothioamide |
| Molecular Weight: | 496.99 |
| Molecular Formula: | C25 H22 Cl F N4 O2 S |
| Smiles: | C1CN(CCN1CCN1C(c2cccc3cccc(C1=O)c23)=O)C(Nc1ccc(cc1F)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 4.8456 |
| logD: | 4.8419 |
| logSw: | -5.1918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.823 |
| InChI Key: | MFOICFZGJJNOPJ-UHFFFAOYSA-N |