pentyl 6-(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)hexanoate
Chemical Structure Depiction of
pentyl 6-(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)hexanoate
pentyl 6-(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)hexanoate
Compound characteristics
| Compound ID: | 1552-0122 |
| Compound Name: | pentyl 6-(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)hexanoate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C29 H33 N O4 |
| Smiles: | CCCCCOC(CCCCCN1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1471 |
| logD: | 5.1471 |
| logSw: | -4.8063 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.764 |
| InChI Key: | ONJYVLKRQUZBIJ-UHFFFAOYSA-N |