17-(4-bromophenyl)-1-{(E)-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)imino]methyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
17-(4-bromophenyl)-1-{(E)-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)imino]methyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
17-(4-bromophenyl)-1-{(E)-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)imino]methyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8004-5606 |
| Compound Name: | 17-(4-bromophenyl)-1-{(E)-[(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)imino]methyl}-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 652.5 |
| Molecular Formula: | C37 H22 Br N3 O4 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)[Br])=O)=N/N1C(c2cccc3cccc(C1=O)c23)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7552 |
| logD: | 5.7552 |
| logSw: | -6.7472 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.56 |
| InChI Key: | IPJXQOHOWAIAIU-NNRJCLOKSA-N |