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102392-27-8 | 2H-1-Benzopyran-3-carboxylic acid, 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-4-methyl-2-oxo-
CAS No: 102392-27-8 Catalog No: AG0007BU MDL No:
Product Description
Catalog Number:
AG0007BU
Chemical Name:
2H-1-Benzopyran-3-carboxylic acid, 7-[3-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]propoxy]-4-methyl-2-oxo-
CAS Number:
102392-27-8
Molecular Formula:
C25H27ClN2O5
Molecular Weight:
470.9453
IUPAC Name:
7-[3-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]propoxy]-4-methyl-2-oxochromene-3-carboxylic acid
InChI:
InChI=1S/C25H27ClN2O5/c1-17-21-8-7-20(15-22(21)33-25(31)23(17)24(29)30)32-14-2-9-27-10-12-28(13-11-27)16-18-3-5-19(26)6-4-18/h3-8,15H,2,9-14,16H2,1H3,(H,29,30)
InChI Key:
XYJFEDCQMSDMKX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CN1CCN(CC1)CCCOc1ccc2c(c1)oc(=O)c(c2C)C(=O)O
Properties
Complexity:
728
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.161g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
470.95g/mol
Monoisotopic Mass:
470.161g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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