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148711-81-3 | 2H-1-Benzopyran-2-one, 6,7-diethoxy-8-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrochloride (1:?)
CAS No: 148711-81-3 Catalog No: AG001L5F MDL No:
Product Description
Catalog Number:
AG001L5F
Chemical Name:
2H-1-Benzopyran-2-one, 6,7-diethoxy-8-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrochloride (1:?)
CAS Number:
148711-81-3
Molecular Formula:
C21H31ClN2O5
Molecular Weight:
426.9342
IUPAC Name:
6,7-diethoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one;hydrochloride
InChI:
InChI=1S/C21H30N2O5.ClH/c1-4-25-17-15-16-7-8-18(24)28-19(16)21(20(17)26-5-2)27-14-6-9-23-12-10-22(3)11-13-23;/h7-8,15H,4-6,9-14H2,1-3H3;1H
InChI Key:
XLBYZMCYDWVKTQ-UHFFFAOYSA-N
SMILES:
CCOc1c(OCC)cc2c(c1OCCCN1CCN(CC1)C)oc(=O)cc2.Cl
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.192g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.938g/mol
Monoisotopic Mass:
426.192g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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