ethyl 3-(1-ethyl-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
ethyl 3-(1-ethyl-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
ethyl 3-(1-ethyl-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: | 8010-3248 |
| Compound Name: | ethyl 3-(1-ethyl-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: | 451.52 |
| Molecular Formula: | C29 H25 N O4 |
| Smiles: | CCC12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1cccc(c1)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9767 |
| logD: | 4.9767 |
| logSw: | -4.6671 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.203 |
| InChI Key: | PCZVBLSFQOCFBX-UHFFFAOYSA-N |