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819075-46-2 | Urea, N'-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N,N-dipropyl-
CAS No: 819075-46-2 Catalog No: AG005GD7 MDL No:
Product Description
Catalog Number:
AG005GD7
Chemical Name:
Urea, N'-[[1,4-bis(phenylmethyl)-2-piperazinyl]methyl]-N,N-dipropyl-
CAS Number:
819075-46-2
Molecular Formula:
C26H38N4O
Molecular Weight:
422.6061
IUPAC Name:
3-[(1,4-dibenzylpiperazin-2-yl)methyl]-1,1-dipropylurea
InChI:
InChI=1S/C26H38N4O/c1-3-15-29(16-4-2)26(31)27-19-25-22-28(20-23-11-7-5-8-12-23)17-18-30(25)21-24-13-9-6-10-14-24/h5-14,25H,3-4,15-22H2,1-2H3,(H,27,31)
InChI Key:
QGZWHICCGPVBAM-UHFFFAOYSA-N
SMILES:
CCCN(C(=O)NCC1CN(CCN1Cc1ccccc1)Cc1ccccc1)CCC
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.305g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.617g/mol
Monoisotopic Mass:
422.305g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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