N-[(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)methyl]-2,2,2-trifluoro-N-phenylacetamide
Chemical Structure Depiction of
N-[(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)methyl]-2,2,2-trifluoro-N-phenylacetamide
N-[(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)methyl]-2,2,2-trifluoro-N-phenylacetamide
Compound characteristics
| Compound ID: | 1021-0169 |
| Compound Name: | N-[(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)methyl]-2,2,2-trifluoro-N-phenylacetamide |
| Molecular Weight: | 476.45 |
| Molecular Formula: | C27 H19 F3 N2 O3 |
| Smiles: | C(N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)N(C(C(F)(F)F)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3158 |
| logD: | 4.3158 |
| logSw: | -4.5819 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.377 |
| InChI Key: | NZBHOKDHSMFTFG-UHFFFAOYSA-N |