2-{2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-{2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 5067-3112 |
| Compound Name: | 2-{2-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 504.01 |
| Molecular Formula: | C27 H22 Cl N3 O3 S |
| Smiles: | C1CN(CCN1CCN1C(c2cccc3cccc(C1=O)c23)=O)C(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.7097 |
| logD: | 4.7095 |
| logSw: | -5.2643 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.018 |
| InChI Key: | OQBUTRBDGOTUEZ-UHFFFAOYSA-N |