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87471-24-7 | Imidazo[4,5-d][1,3]diazepin-8-ol, 1,6,7,8-tetrahydro-, (R)-
CAS No: 87471-24-7 Catalog No: AG004I7F MDL No:
Product Description
Catalog Number:
AG004I7F
Chemical Name:
Imidazo[4,5-d][1,3]diazepin-8-ol, 1,6,7,8-tetrahydro-, (R)-
CAS Number:
87471-24-7
Molecular Formula:
C6H8N4O
Molecular Weight:
152.1539
IUPAC Name:
(8R)-1,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol
InChI:
InChI=1S/C6H8N4O/c11-4-1-7-2-9-6-5(4)8-3-10-6/h2-4,11H,1H2,(H,7,9)(H,8,10)/t4-/m1/s1
InChI Key:
YFIDCUXYXQUPSM-SCSAIBSYSA-N
SMILES:
O[C@@H]1CNC=Nc2c1[nH]cn2
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
152.07g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
152.157g/mol
Monoisotopic Mass:
152.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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