2-{4-oxo-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]butyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-{4-oxo-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]butyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
2-{4-oxo-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]butyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3330-1101 |
| Compound Name: | 2-{4-oxo-4-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]butyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione--hydrogen chloride (1/1) |
| Molecular Weight: | 504.03 |
| Molecular Formula: | C29 H29 N3 O3 |
| Salt: | HCl |
| Smiles: | C(CC(N1CCN(CC1)C/C=C/c1ccccc1)=O)CN1C(c2cccc3cccc(C1=O)c23)=O |
| Stereo: | ACHIRAL |
| logP: | 3.609 |
| logD: | 3.605 |
| logSw: | -4.033 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.74 |
| InChI Key: | ZSOLHRIKOMGLNF-UXBLZVDNSA-N |