AC1MJTM8
[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-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 00757859|AK-918/11909142|2-(4-chlorophenyl)-2-oxoethyl (1,8-dibromo-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|2-(4-chlorophenyl)-2-oxoethyl (1,8-dibromo-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)|[2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-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|2-(4-chlorophenyl)-2-oxoethyl 2-(1,8-dibromo-16,19-dioxo-15-azahexacyclo[6.6.4 .1<15,18>.0<1,17>.0<2,7>.0<9,14>]nonadeca-2(7),3,5,9(14),10,12-hexaen-15-yl)ac etate
| Molecular Formula | C28H18Br2ClNO5 |
|---|---|
| Molecular Weight | 640.924 g/mol |
| LogP | 4.9713 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 640.924 |
| Monoisotopic Mass | 642.922 |
| Heavy Atoms | 37 |
| Complexity | 1382.9171 |
Chemical Identifiers
| CAS Number | 333340-77-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4C(C2(C5=CC=CC=C53)Br)C(=O)N(C4=O)CC(=O)OCC(=O)C6=CC=C(C=C6)Cl)Br |
Product Overview
AC1MJTM8 (CAS 333340-77-5), with molecular formula C28H18Br2ClNO5 and molecular weight 640.924 g/mol. IUPAC: [2-(4-chlorophenyl)-2-oxoethyl] 2-(1,8-dibromo-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.
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