17-(2-bromo-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-(2-bromo-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-(2-bromo-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: | 6105-0821 |
| Compound Name: | 17-(2-bromo-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: | 488.34 |
| Molecular Formula: | C26 H18 Br N O4 |
| Smiles: | Cc1ccc(c(c1)[Br])N1C(C2C3c4ccccc4C(C2C1=O)(C(O)=O)c1ccccc13)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8832 |
| logD: | 0.8728 |
| logSw: | -3.9929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.557 |
| InChI Key: | WZVIOFSPWODMMR-UHFFFAOYSA-N |