ethyl 2-(1,8-dimethyl-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 2-(1,8-dimethyl-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 2-(1,8-dimethyl-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: | 8009-0213 |
| Compound Name: | ethyl 2-(1,8-dimethyl-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: | CCOC(c1ccccc1N1C(C2C(C1=O)C1(C)c3ccccc3C2(C)c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4195 |
| logD: | 4.4195 |
| logSw: | -4.3484 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.902 |
| InChI Key: | BQEQJAKHJTVAOO-UHFFFAOYSA-N |