2-[(E)-{[17-(2-nitrophenyl)-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-(2-nitrophenyl)-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-(2-nitrophenyl)-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: | 8003-7285 |
| Compound Name: | 2-[(E)-{[17-(2-nitrophenyl)-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: | 543.54 |
| Molecular Formula: | C32 H21 N3 O6 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccccc1[N+]([O-])=O)=O)=N/c1ccccc1C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6627 |
| logD: | 1.4891 |
| logSw: | -4.5645 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.067 |
| InChI Key: | RICKCGHIXFSARC-ATZGPIRCSA-N |