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17745-24-3 | Urea, N,N'-bis[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]-
CAS No: 17745-24-3 Catalog No: AG0025C8 MDL No:
Product Description
Catalog Number:
AG0025C8
Chemical Name:
Urea, N,N'-bis[4-(1,4,5,6-tetrahydro-2-pyrimidinyl)phenyl]-
CAS Number:
17745-24-3
Molecular Formula:
C21H24N6O
Molecular Weight:
376.4549
IUPAC Name:
1,3-bis[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea
InChI:
InChI=1S/C21H24N6O/c28-21(26-17-7-3-15(4-8-17)19-22-11-1-12-23-19)27-18-9-5-16(6-10-18)20-24-13-2-14-25-20/h3-10H,1-2,11-14H2,(H,22,23)(H,24,25)(H2,26,27,28)
InChI Key:
IGKMCFMQCNDZFV-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)C1=NCCCN1)Nc1ccc(cc1)C1=NCCCN1
NSC Number:
63680
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.201g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
376.464g/mol
Monoisotopic Mass:
376.201g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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