1-(hydroxymethyl)-17-(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-(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-(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: | 3406-0953 |
Compound Name: | 1-(hydroxymethyl)-17-(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: | 426.43 |
Molecular Formula: | C25 H18 N2 O5 |
Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1cccc(c1)[N+]([O-])=O)=O)O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8001 |
logD: | 2.8 |
logSw: | -3.4861 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 78.946 |
InChI Key: | ZZBSSADWMVVRIJ-UHFFFAOYSA-N |