4-chloro-3-(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-chloro-3-(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-chloro-3-(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: | 8010-1142 |
| Compound Name: | 4-chloro-3-(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: | 429.86 |
| Molecular Formula: | C25 H16 Cl N O4 |
| Smiles: | c1ccc2C3C4C(C(c2c1)c1ccccc13)C(N(C4=O)c1cc(ccc1[Cl])C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0465 |
| logD: | 1.4979 |
| logSw: | -4.3427 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.557 |
| InChI Key: | ZETCSPNBXGJGCI-UHFFFAOYSA-N |