4-(1-formyl-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-17-yl)benzoic acid
Chemical Structure Depiction of
4-(1-formyl-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-17-yl)benzoic acid
4-(1-formyl-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-17-yl)benzoic acid
Compound characteristics
| Compound ID: | 3406-0576 |
| Compound Name: | 4-(1-formyl-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-17-yl)benzoic acid |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C26 H17 N O5 |
| Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0352 |
| logD: | 0.6399 |
| logSw: | -3.3489 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.017 |
| InChI Key: | OYYIBICXDVRICQ-UHFFFAOYSA-N |