methyl 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)benzoate
Chemical Structure Depiction of
methyl 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)benzoate
methyl 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)benzoate
Compound characteristics
| Compound ID: | 8012-4127 |
| Compound Name: | methyl 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)benzoate |
| Molecular Weight: | 601.68 |
| Molecular Formula: | C26 H16 Br2 Cl N O4 |
| Smiles: | COC(c1cc(ccc1[Cl])N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3768 |
| logD: | 5.3768 |
| logSw: | -6.0044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.623 |
| InChI Key: | GKMUQNQYCFDRPQ-UHFFFAOYSA-N |