16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
Chemical Structure Depiction of
16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid
Compound characteristics
| Compound ID: | 2523-0189 |
| Compound Name: | 16,18-dioxo-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carboxylic acid |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C30 H27 N O5 |
| Smiles: | CCCCCOc1ccc(cc1)N1C(C2C3c4ccccc4C(C2C1=O)(C(O)=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7508 |
| logD: | 1.7404 |
| logSw: | -4.3978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.275 |
| InChI Key: | LHMICCDGFSGTEI-UHFFFAOYSA-N |