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Home > Indoles and Oxindole > 746677-39-4
746677-39-4 | 2-{pyrazolo[1,5-a]pyrimidin-7-ylmethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS No: 746677-39-4 Catalog No: AG01A280 MDL No:MFCD23143987
Product Description
Catalog Number:
AG01A280
Chemical Name:
2-{pyrazolo[1,5-a]pyrimidin-7-ylmethyl}-2,3-dihydro-1H-isoindole-1,3-dione
CAS Number:
746677-39-4
Molecular Formula:
C15H10N4O2
Molecular Weight:
278.2655
MDL Number:
MFCD23143987
IUPAC Name:
2-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C15H10N4O2/c20-14-11-3-1-2-4-12(11)15(21)18(14)9-10-5-7-16-13-6-8-17-19(10)13/h1-8H,9H2
InChI Key:
NLOZNSSVIQJDJK-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccnc3n2ncc3)C(=O)c2c1cccc2
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.271g/mol
Monoisotopic Mass:
278.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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