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126568-00-1 | Pyrazolo[3,4-e][1,4]diazepine-4,7-dione, 1,5,6,8-tetrahydro-5,8-dimethyl-1-phenyl-
CAS No: 126568-00-1 Catalog No: AG000SY5 MDL No:
Product Description
Catalog Number:
AG000SY5
Chemical Name:
Pyrazolo[3,4-e][1,4]diazepine-4,7-dione, 1,5,6,8-tetrahydro-5,8-dimethyl-1-phenyl-
CAS Number:
126568-00-1
Molecular Formula:
C14H14N4O2
Molecular Weight:
270.2866
IUPAC Name:
5,8-dimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
InChI:
InChI=1S/C14H14N4O2/c1-16-9-12(19)17(2)13-11(14(16)20)8-15-18(13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChI Key:
FVIAXXYCNHWPPB-UHFFFAOYSA-N
SMILES:
O=C1CN(C)C(=O)c2c(N1C)n(nc2)c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.292g/mol
Monoisotopic Mass:
270.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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