2-(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)ethyl pentachlorobenzoate
Chemical Structure Depiction of
2-(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)ethyl pentachlorobenzoate
2-(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)ethyl pentachlorobenzoate
Compound characteristics
| Compound ID: | 0934-1188 |
| Compound Name: | 2-(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)ethyl pentachlorobenzoate |
| Molecular Weight: | 595.69 |
| Molecular Formula: | C27 H16 Cl5 N O4 |
| Smiles: | C(COC(c1c(c(c(c(c1[Cl])[Cl])[Cl])[Cl])[Cl])=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.4508 |
| logD: | 6.4508 |
| logSw: | -7.308 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.087 |
| InChI Key: | PEBBTEGZPLDGTG-UHFFFAOYSA-N |