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1263320-06-4 | 1H-Indazole-1-carboxamide, 3-amino-5-nitro-N-[4-(phenylmethyl)phenyl]-
CAS No: 1263320-06-4 Catalog No: AG000SMV MDL No:
Product Description
Catalog Number:
AG000SMV
Chemical Name:
1H-Indazole-1-carboxamide, 3-amino-5-nitro-N-[4-(phenylmethyl)phenyl]-
CAS Number:
1263320-06-4
Molecular Formula:
C21H17N5O3
Molecular Weight:
387.3914
IUPAC Name:
3-amino-N-(4-benzylphenyl)-5-nitroindazole-1-carboxamide
InChI:
InChI=1S/C21H17N5O3/c22-20-18-13-17(26(28)29)10-11-19(18)25(24-20)21(27)23-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,22,24)(H,23,27)
InChI Key:
RHKKYFKNAKEADS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(N)nn2C(=O)Nc1ccc(cc1)Cc1ccccc1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.133g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.399g/mol
Monoisotopic Mass:
387.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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