1-methyl-4-phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione
Chemical Structure Depiction of
1-methyl-4-phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione
1-methyl-4-phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione
Compound characteristics
| Compound ID: | 8008-9783 |
| Compound Name: | 1-methyl-4-phenyl-4,5-diazapentacyclo[6.6.6.0~2,7~.0~9,14~.0~15,20~]icosa-9,11,13,15,17,19-hexaene-3,6-dione |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C25 H20 N2 O2 |
| Smiles: | CC12C3C(C(c4ccccc14)c1ccccc12)C(NN(C3=O)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5601 |
| logD: | 0.4256 |
| logSw: | -3.787 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.964 |
| InChI Key: | MZDCFULDBJGKEQ-UHFFFAOYSA-N |