4-[1-(hydroxymethyl)-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-(hydroxymethyl)-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-(hydroxymethyl)-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: | 3406-0981 |
| Compound Name: | 4-[1-(hydroxymethyl)-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: | 425.44 |
| Molecular Formula: | C26 H19 N O5 |
| Smiles: | C(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)C(O)=O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.773 |
| logD: | 0.3778 |
| logSw: | -3.1436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.973 |
| InChI Key: | JNFXIHPHMSORHL-UHFFFAOYSA-N |