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827318-44-5 | Urea, N-phenyl-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS No: 827318-44-5 Catalog No: AG0058J5 MDL No:
Product Description
Catalog Number:
AG0058J5
Chemical Name:
Urea, N-phenyl-N'-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]-
CAS Number:
827318-44-5
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
1-phenyl-3-[2-(1H-pyrazol-4-yl)-1H-indol-5-yl]urea
InChI:
InChI=1S/C18H15N5O/c24-18(21-14-4-2-1-3-5-14)22-15-6-7-16-12(8-15)9-17(23-16)13-10-19-20-11-13/h1-11,23H,(H,19,20)(H2,21,22,24)
InChI Key:
RWVCEUCYOXPUOT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)Nc1ccc2c(c1)cc([nH]2)c1c[nH]nc1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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