3-[(E)-{[17-(4-bromophenyl)-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
3-[(E)-{[17-(4-bromophenyl)-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
3-[(E)-{[17-(4-bromophenyl)-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: | 8004-6317 |
| Compound Name: | 3-[(E)-{[17-(4-bromophenyl)-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: | 577.43 |
| Molecular Formula: | C32 H21 Br N2 O4 |
| Smiles: | C(\C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)[Br])=O)=N/c1cccc(c1)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7917 |
| logD: | 2.5981 |
| logSw: | -5.7727 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.985 |
| InChI Key: | PLIASXXIDVMAQX-UHFFFAOYSA-N |