2-[(E)-{[17-(naphthalen-1-yl)-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-(naphthalen-1-yl)-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-(naphthalen-1-yl)-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: | 8004-6324 |
| Compound Name: | 2-[(E)-{[17-(naphthalen-1-yl)-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: | 548.6 |
| Molecular Formula: | C36 H24 N2 O4 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1cccc2ccccc12)=O)=N/c1ccccc1C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9914 |
| logD: | 2.8178 |
| logSw: | -6.8613 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.715 |
| InChI Key: | FJIDWLITKNBSQJ-UHFFFAOYSA-N |