2-[(E)-{[17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}amino]benzoic acid
Chemical Structure Depiction of
2-[(E)-{[17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}amino]benzoic acid
2-[(E)-{[17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}amino]benzoic acid
Compound characteristics
| Compound ID: | 8004-6290 |
| Compound Name: | 2-[(E)-{[17-(4-ethoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-1-yl]methylidene}amino]benzoic acid |
| Molecular Weight: | 542.59 |
| Molecular Formula: | C34 H26 N2 O5 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C3c4ccccc4C(/C=N/c4ccccc4C(O)=O)(C2C1=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1038 |
| logD: | 1.9302 |
| logSw: | -4.7211 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.411 |
| InChI Key: | WGMXUWPLROIYEX-UHFFFAOYSA-N |