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827612-61-3 | Urea, N-[2-hydroxy-1-[(5-methyl-1H-indol-3-yl)methyl]ethyl]-N'-phenyl-
CAS No: 827612-61-3 Catalog No: AG0056ZC MDL No:
Product Description
Catalog Number:
AG0056ZC
Chemical Name:
Urea, N-[2-hydroxy-1-[(5-methyl-1H-indol-3-yl)methyl]ethyl]-N'-phenyl-
CAS Number:
827612-61-3
Molecular Formula:
C19H21N3O2
Molecular Weight:
323.3889
IUPAC Name:
1-[1-hydroxy-3-(5-methyl-1H-indol-3-yl)propan-2-yl]-3-phenylurea
InChI:
InChI=1S/C19H21N3O2/c1-13-7-8-18-17(9-13)14(11-20-18)10-16(12-23)22-19(24)21-15-5-3-2-4-6-15/h2-9,11,16,20,23H,10,12H2,1H3,(H2,21,22,24)
InChI Key:
OXSMUPDKJIOTBW-UHFFFAOYSA-N
SMILES:
OCC(Cc1c[nH]c2c1cc(C)cc2)NC(=O)Nc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
323.396g/mol
Monoisotopic Mass:
323.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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