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460330-27-2 | 3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one
CAS No: 460330-27-2 Catalog No: AG01ENHD MDL No:
Product Description
Catalog Number:
AG01ENHD
Chemical Name:
3-((4-Cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methoxyquinolin-2(1H)-one
CAS Number:
460330-27-2
Molecular Formula:
C30H37N7O2
Molecular Weight:
527.6605
IUPAC Name:
3-[(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
InChI:
InChI=1S/C30H37N7O2/c1-39-25-12-13-27-23(20-25)21-26(30(38)31-27)28(36-18-16-35(17-19-36)24-10-6-3-7-11-24)29-32-33-34-37(29)15-14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20-21,24,28H,3,6-7,10-11,14-19H2,1H3,(H,31,38)
InChI Key:
ZVWPOIUAPXDLMB-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)cc(c(=O)[nH]2)C(c1nnnn1CCc1ccccc1)N1CCN(CC1)C1CCCCC1
Properties
Complexity:
835
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.301g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
527.673g/mol
Monoisotopic Mass:
527.301g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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