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Home > Indoles and Oxindole > 827318-43-4
827318-43-4 | Urea, N-(phenylmethyl)-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS No: 827318-43-4 Catalog No: AG0058J6 MDL No:
Product Description
Catalog Number:
AG0058J6
Chemical Name:
Urea, N-(phenylmethyl)-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS Number:
827318-43-4
Molecular Formula:
C19H17N5O
Molecular Weight:
331.3712
IUPAC Name:
1-benzyl-3-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]urea
InChI:
InChI=1S/C19H17N5O/c25-19(20-10-13-4-2-1-3-5-13)23-16-6-7-17-14(8-16)9-18(24-17)15-11-21-22-12-15/h1-9,11-12,24H,10H2,(H,21,22)(H2,20,23,25)
InChI Key:
ZDHVRKCOIJJBGI-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)cc([nH]2)c1c[nH]nc1)NCc1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.143g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
331.379g/mol
Monoisotopic Mass:
331.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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