AC1L5XK4
17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Also Known As: Oprea1_546208|Oprea1_585894|BAS 00364112|Sc|(9R,10R,15S)-13-(4-ethoxyphenyl)-10,11-dihydro-9H-9,10-[3,4]epipyrroloanthracene-12,14(13H,15H)-dione|17-(4-ETHOXYPHENYL)-17-AZAPENTACYCLO[6.6.5.0~2,7~.0~9,14~.0~15,19~]NONADECA-2,4,6,9(14),10,12-HEXAENE-16,18-DIONE|17-(4-Ethoxyphenyl)-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|17-(4-ethoxyphenyl)-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 (non-preferred name)|17-(4-Ethoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
| Molecular Formula | C26H21NO3 |
|---|---|
| Molecular Weight | 395.15213 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.15213 |
| Monoisotopic Mass | 395.15213 |
| Heavy Atoms | 30 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 59697-07-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46 |
| InChIKey | SWYURFNMJQNPLE-UHFFFAOYSA-N |
Product Overview
AC1L5XK4 (CAS 59697-07-3), with molecular formula C26H21NO3 and molecular weight 395.15213 g/mol. IUPAC: 17-(4-ethoxyphenyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.