AC1LR0HR
methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
Also Known As: CBMicro_039962|HMS596I13|BIM-0039761.P001|METHYL 2-(4-{[(5E)-1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL}-2-METHOXYPHENOXY)ACETATE|METHYL 2-[4-[(E)-[1-(4-BROMOPHENYL)-2,4,6-TRIOXO-1,3-DIAZINAN-5-YLIDENE]METHYL]-2-METHOXY-PHENOXY]ACETATE|methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C21H17BrN2O7 |
|---|---|
| Molecular Weight | 488.0219 g/mol |
| LogP | 2.6759 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0219 |
| Monoisotopic Mass | 488.0219 |
| Heavy Atoms | 31 |
| Complexity | 1079.6359 |
Chemical Identifiers
| CAS Number | 5982-77-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br)OCC(=O)OC |
Product Overview
AC1LR0HR (CAS 5982-77-4), with molecular formula C21H17BrN2O7 and molecular weight 488.0219 g/mol. IUPAC: methyl 2-[4-[(E)-[1-(4-bromophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2-methoxyphenoxy]acetate.
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