2-(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)phenyl octanoate
Chemical Structure Depiction of
2-(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)phenyl octanoate
2-(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)phenyl octanoate
Compound characteristics
| Compound ID: | 8008-6716 |
| Compound Name: | 2-(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)phenyl octanoate |
| Molecular Weight: | 493.6 |
| Molecular Formula: | C32 H31 N O4 |
| Smiles: | CCCCCCCC(=O)Oc1ccccc1N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1069 |
| logD: | 6.1069 |
| logSw: | -5.4442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.29 |
| InChI Key: | QDIGAFPYTPRXCW-UHFFFAOYSA-N |