AC1MJQEK
pentadecyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate
Also Known As: BAS 00722129|AK-918/11755227|pentadecyl (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)acetate (non-preferred name)|pentadecyl (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)acetate|pentadecyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.0<2,7>.0<9,14>.0<15,19>]nonad eca-2(7),3,5,9,11,13-hexaen-17-yl)acetate|pentadecyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate|pentadecyl 2-{16,18-dioxo-17-azapentacyclo[6.6.5.0(2),?.0?,(1)?.0(1)?,(1)?]nonadeca-2(7),3,5,9(14),10,12-hexaen-17-yl}acetate
| Molecular Formula | C35H45NO4 |
|---|---|
| Molecular Weight | 543.33484 g/mol |
| LogP | 7.513 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 543.33484 |
| Monoisotopic Mass | 543.33484 |
| Heavy Atoms | 40 |
| Complexity | 1073.918 |
Chemical Identifiers
| CAS Number | 498529-75-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCOC(=O)CN1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35 |
Product Overview
AC1MJQEK (CAS 498529-75-2), with molecular formula C35H45NO4 and molecular weight 543.33484 g/mol. IUPAC: pentadecyl 2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)acetate.