17-(3-chloro-4-methylphenyl)-16,18-dioxo-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
17-(3-chloro-4-methylphenyl)-16,18-dioxo-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
17-(3-chloro-4-methylphenyl)-16,18-dioxo-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: | 3406-0166 |
| Compound Name: | 17-(3-chloro-4-methylphenyl)-16,18-dioxo-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: | 443.89 |
| Molecular Formula: | C26 H18 Cl N O4 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C2C3c4ccccc4C(C2C1=O)(C(O)=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0232 |
| logD: | 1.0128 |
| logSw: | -4.2603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | UJOJTQVCNZSCFM-UHFFFAOYSA-N |