1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8009-7455 |
| Compound Name: | 1-acetyl-17-[2-chloro-5-(trifluoromethyl)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 495.88 |
| Molecular Formula: | C27 H17 Cl F3 N O3 |
| Smiles: | CC(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6599 |
| logD: | 4.6597 |
| logSw: | -4.9478 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.975 |
| InChI Key: | ZIEYPAXUEXANFL-UHFFFAOYSA-N |