4-(1,8-dimethyl-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-(1,8-dimethyl-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-(1,8-dimethyl-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: | 2360-0434 |
Compound Name: | 4-(1,8-dimethyl-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: | 423.47 |
Molecular Formula: | C27 H21 N O4 |
Smiles: | CC12C3C(C(N(C3=O)c3ccc(cc3)C(O)=O)=O)C(C)(c3ccccc13)c1ccccc12 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.6755 |
logD: | 1.2803 |
logSw: | -3.7935 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.858 |
InChI Key: | BRUIHGLXIKKXJN-UHFFFAOYSA-N |