17-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Chemical Structure Depiction of
17-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
17-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde
Compound characteristics
| Compound ID: | 8009-0225 |
| Compound Name: | 17-[4-chloro-3-(trifluoromethyl)phenyl]-8-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-1-carbaldehyde |
| Molecular Weight: | 495.88 |
| Molecular Formula: | C27 H17 Cl F3 N O3 |
| Smiles: | CC12C3C(C(N(C3=O)c3ccc(c(c3)C(F)(F)F)[Cl])=O)C(C=O)(c3ccccc13)c1ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7489 |
| logD: | 4.7489 |
| logSw: | -5.0017 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.609 |
| InChI Key: | QNFZLXMQWXDJRV-UHFFFAOYSA-N |