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126567-68-8 | Pyrazolo[3,4-e][1,4]diazepine-4,7-dione, 1,5,6,8-tetrahydro-3,5,8-trimethyl-1-phenyl-
CAS No: 126567-68-8 Catalog No: AG000SY6 MDL No:
Product Description
Catalog Number:
AG000SY6
Chemical Name:
Pyrazolo[3,4-e][1,4]diazepine-4,7-dione, 1,5,6,8-tetrahydro-3,5,8-trimethyl-1-phenyl-
CAS Number:
126567-68-8
Molecular Formula:
C15H16N4O2
Molecular Weight:
284.3131
IUPAC Name:
3,5,8-trimethyl-1-phenyl-6H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione
InChI:
InChI=1S/C15H16N4O2/c1-10-13-14(18(3)12(20)9-17(2)15(13)21)19(16-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChI Key:
GGPMTVNYXSXKOJ-UHFFFAOYSA-N
SMILES:
O=C1CN(C)C(=O)c2c(N1C)n(nc2C)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.319g/mol
Monoisotopic Mass:
284.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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