4,11-di-tert-butyl-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
4,11-di-tert-butyl-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
4,11-di-tert-butyl-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 1731-0621 |
| Compound Name: | 4,11-di-tert-butyl-17-[4-(pentyloxy)phenyl]-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 549.76 |
| Molecular Formula: | C37 H43 N O3 |
| Smiles: | CCCCCOc1ccc(cc1)N1C(C2C(C3c4ccc(cc4C2c2ccc(cc23)C(C)(C)C)C(C)(C)C)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 9.3383 |
| logD: | 9.3383 |
| logSw: | -5.5706 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.867 |
| InChI Key: | WFSIPXKAGXIRMM-UHFFFAOYSA-N |