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1173-53-1 | Phenol, 4-[[[4-(diphenylmethyl)-1-piperazinyl]amino]methyl]-
CAS No: 1173-53-1 Catalog No: AG000E34 MDL No:
Product Description
Catalog Number:
AG000E34
Chemical Name:
Phenol, 4-[[[4-(diphenylmethyl)-1-piperazinyl]amino]methyl]-
CAS Number:
1173-53-1
Molecular Formula:
C24H27N3O
Molecular Weight:
373.4907
IUPAC Name:
4-[[(4-benzhydrylpiperazin-1-yl)amino]methyl]phenol
InChI:
InChI=1S/C24H27N3O/c28-23-13-11-20(12-14-23)19-25-27-17-15-26(16-18-27)24(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,24-25,28H,15-19H2
InChI Key:
GPRHFRNKCUHMPX-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)CNN1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.5g/mol
Monoisotopic Mass:
373.215g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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