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131563-03-6 | 1H-Pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione, 3,6-dihydro-4-methyl-
CAS No: 131563-03-6 Catalog No: AG000ZG5 MDL No:
Product Description
Catalog Number:
AG000ZG5
Chemical Name:
1H-Pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione, 3,6-dihydro-4-methyl-
CAS Number:
131563-03-6
Molecular Formula:
C12H10N4O2
Molecular Weight:
242.2334
IUPAC Name:
4-methyl-3H-pyrimido[4,5-b][1,5]benzodiazepine-2,5-dione
InChI:
InChI=1S/C12H8N4O2/c1-6-9-10(16-12(18)13-6)14-7-4-2-3-5-8(7)15-11(9)17/h2-5H,1H3,(H,13,16,18)
InChI Key:
ILYOWFONKJBUCA-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2nc3ccccc3[nH]c(=O)c2c([nH]1)C
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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