1-(hydroxymethyl)-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
1-(hydroxymethyl)-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
1-(hydroxymethyl)-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: | 3406-0272 |
| Compound Name: | 1-(hydroxymethyl)-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: | 440.45 |
| Molecular Formula: | C26 H20 N2 O5 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)N1C(C2C3c4ccccc4C(CO)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3411 |
| logD: | 3.341 |
| logSw: | -3.8728 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.645 |
| InChI Key: | ONQSCDNLKPRECB-UHFFFAOYSA-N |