17-(4-methyl-3-nitrophenyl)-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-methyl-3-nitrophenyl)-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-methyl-3-nitrophenyl)-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: | 1935-0171 |
| Compound Name: | 17-(4-methyl-3-nitrophenyl)-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: | 410.43 |
| Molecular Formula: | C25 H18 N2 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0028 |
| logD: | 4.0028 |
| logSw: | -4.3146 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.53 |
| InChI Key: | DEBHJEWSPXAVOJ-UHFFFAOYSA-N |