RefChem:1059558
(E)-but-2-enedioic acid;6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
Also Known As: 6-Chloro-3-(3-(4-p-chlorophenyl-1-piperazinyl)propyl)-2,4(1H,3H)-quinazolinedione maleate|2,4(1H,3H)-Quinazolinedione, 6-chloro-3-(3-(4-(4-chlorophenyl)-1-piperazinyl)propyl)-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione
| Molecular Formula | C25H26Cl2N4O6 |
|---|---|
| Molecular Weight | 548.1229 g/mol |
| LogP | 2.9207 |
| Topological Polar Surface Area | 135.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.1229 |
| Monoisotopic Mass | 548.1229 |
| Heavy Atoms | 37 |
| Complexity | 1377.0427 |
Chemical Identifiers
| CAS Number | 4052-20-4 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1059558 (CAS 4052-20-4), with molecular formula C25H26Cl2N4O6 and molecular weight 548.1229 g/mol. IUPAC: (E)-but-2-enedioic acid;6-chloro-3-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-1H-quinazoline-2,4-dione.
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