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148711-85-7 | 2H-1-Benzopyran-2-one, 7-methoxy-8-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrochloride (1:2)
CAS No: 148711-85-7 Catalog No: AG001L5D MDL No:
Product Description
Catalog Number:
AG001L5D
Chemical Name:
2H-1-Benzopyran-2-one, 7-methoxy-8-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrochloride (1:2)
CAS Number:
148711-85-7
Molecular Formula:
C18H26Cl2N2O4
Molecular Weight:
405.3160
IUPAC Name:
7-methoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one;dihydrochloride
InChI:
InChI=1S/C18H24N2O4.2ClH/c1-19-9-11-20(12-10-19)8-3-13-23-18-15(22-2)6-4-14-5-7-16(21)24-17(14)18;;/h4-7H,3,8-13H2,1-2H3;2*1H
InChI Key:
KVEJXJREEYBBGB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OCCCN1CCN(CC1)C)oc(=O)cc2.Cl.Cl
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.316g/mol
Monoisotopic Mass:
404.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
51.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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