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1001735-55-2 | (3Z)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-2,3-dihydro-1H-indol-2-one
CAS No: 1001735-55-2 Catalog No: AG00IPGJ MDL No:MFCD00749717
Product Description
Catalog Number:
AG00IPGJ
Chemical Name:
(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-2,3-dihydro-1H-indol-2-one
CAS Number:
1001735-55-2
Molecular Formula:
C19H16N4O2
Molecular Weight:
332.3559
MDL Number:
MFCD00749717
IUPAC Name:
3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1H-indol-2-one
InChI:
InChI=1S/C19H16N4O2/c1-12-16(19(25)23(22(12)2)13-8-4-3-5-9-13)21-17-14-10-6-7-11-15(14)20-18(17)24/h3-11H,1-2H3,(H,20,21,24)
InChI Key:
UBDHHVNTMGVYRZ-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(/C/1=N/c1c(C)n(n(c1=O)c1ccccc1)C)cccc2
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.363g/mol
Monoisotopic Mass:
332.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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