AC1O5KSA
(Z)-but-2-enedioic acid;3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-2-thioxo-, (Z)-2-butenedioate (1:1)|3-(3-(4-m-Chlorophenyl-1-piperazinyl)propyl)-2-thio-4-oxo(1H,3H)quinazoline maleate|(Z)-but-2-enedioic acid; 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C25H27ClN4O5S |
|---|---|
| Molecular Weight | 530.1391 g/mol |
| LogP | 3.63659 |
| Topological Polar Surface Area | 118.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 530.1391 |
| Monoisotopic Mass | 530.1391 |
| Heavy Atoms | 36 |
| Complexity | 1346.302 |
Chemical Identifiers
| CAS Number | 4233-07-2 |
|---|---|
| SMILES | C1CN(CCN1CCCN2C(=O)C3=CC=CC=C3NC2=S)C4=CC(=CC=C4)Cl.C(=C\C(=O)O)\C(=O)O |
Product Overview
AC1O5KSA (CAS 4233-07-2), with molecular formula C25H27ClN4O5S and molecular weight 530.1391 g/mol. IUPAC: (Z)-but-2-enedioic acid;3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-sulfanylidene-1H-quinazolin-4-one.
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