1-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-17-(2-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-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-17-(2-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-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-17-(2-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: | 8007-2253 |
Compound Name: | 1-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-17-(2-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: | 548 |
Molecular Formula: | C32 H22 Cl N3 O4 |
Smiles: | Cc1c(cccc1[Cl])/N=C/C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[N+]([O-])=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.9943 |
logD: | 5.9943 |
logSw: | -6.0041 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 68.659 |
InChI Key: | RGHLGWFSAQHTCE-UHFFFAOYSA-N |