2-methylpropyl 4-(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
2-methylpropyl 4-(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
2-methylpropyl 4-(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: | 8008-8789 |
| Compound Name: | 2-methylpropyl 4-(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: | 609.31 |
| Molecular Formula: | C29 H23 Br2 N O4 |
| Smiles: | CC(C)COC(c1ccc(cc1)N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2084 |
| logD: | 6.2084 |
| logSw: | -5.6637 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.579 |
| InChI Key: | LTHHHKXZEFAQCJ-UHFFFAOYSA-N |