2-chloro-5-(1,8-dibromo-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
2-chloro-5-(1,8-dibromo-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
2-chloro-5-(1,8-dibromo-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: | 8008-9633 |
| Compound Name: | 2-chloro-5-(1,8-dibromo-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: | 587.65 |
| Molecular Formula: | C25 H14 Br2 Cl N O4 |
| Smiles: | c1ccc2c(c1)C1(C3C(C(N(C3=O)c3ccc(c(c3)C(O)=O)[Cl])=O)C2(c2ccccc12)[Br])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0319 |
| logD: | 1.4254 |
| logSw: | -4.8686 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | NJTWXQRXQHUBRI-UHFFFAOYSA-N |