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85120-52-1 | METHYL 2-[(2-HYDROXYPHENYL)METHYL-[2-[(2-HYDROXYPHENYL)METHYL-(METHOXYCARBONYLMETHYL)AMINO]ETHYL]AMINO]ACETATE
CAS No: 85120-52-1 Catalog No: AG004R9E MDL No:
Product Description
Catalog Number:
AG004R9E
Chemical Name:
METHYL 2-[(2-HYDROXYPHENYL)METHYL-[2-[(2-HYDROXYPHENYL)METHYL-(METHOXYCARBONYLMETHYL)AMINO]ETHYL]AMINO]ACETATE
CAS Number:
85120-52-1
Molecular Formula:
C22H28N2O6
Molecular Weight:
416.4675
IUPAC Name:
methyl 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetate
InChI:
InChI=1S/C22H28N2O6/c1-29-21(27)15-23(13-17-7-3-5-9-19(17)25)11-12-24(16-22(28)30-2)14-18-8-4-6-10-20(18)26/h3-10,25-26H,11-16H2,1-2H3
InChI Key:
ACHBABDQYBLQLC-UHFFFAOYSA-N
SMILES:
COC(=O)CN(Cc1ccccc1O)CCN(Cc1ccccc1O)CC(=O)OC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.195g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.474g/mol
Monoisotopic Mass:
416.195g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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