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73150-22-8 | 1-(((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)thio)acetyl)-4-methylpiperazine maleate
CAS No: 73150-22-8 Catalog No: AG005FWW MDL No:
Product Description
Catalog Number:
AG005FWW
Chemical Name:
1-(((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)thio)acetyl)-4-methylpiperazine maleate
CAS Number:
73150-22-8
Molecular Formula:
C25H28N2O5S2
Molecular Weight:
500.6302
IUPAC Name:
but-2-enedioic acid;2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)-1-(4-methylpiperazin-1-yl)ethanone
InChI:
InChI=1S/C21H24N2OS2.C4H4O4/c1-22-10-12-23(13-11-22)20(24)15-26-21-17-7-3-2-6-16(17)14-25-19-9-5-4-8-18(19)21;5-3(6)1-2-4(7)8/h2-9,21H,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)
InChI Key:
KBUZACUMEDPBJX-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)C(=O)CSC1c2ccccc2SCc2c1cccc2.OC(=O)/C=C\C(=O)O
Properties
Complexity:
600
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.144g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
500.628g/mol
Monoisotopic Mass:
500.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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