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182202-75-1 | Methanone, (4-aminophenyl)(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)-, hydrochloride (1:1)
CAS No: 182202-75-1 Catalog No: AG0023GU MDL No:MFCD16036304
Product Description
Catalog Number:
AG0023GU
Chemical Name:
Methanone, (4-aminophenyl)(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)-, hydrochloride (1:1)
CAS Number:
182202-75-1
Molecular Formula:
C19H19ClN4O
Molecular Weight:
354.8334
MDL Number:
MFCD16036304
IUPAC Name:
(4-aminophenyl)-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepin-6-yl)methanone
InChI:
InChI=1S/C19H18N4O/c1-12-21-16-10-11-23(19(24)13-6-8-14(20)9-7-13)17-5-3-2-4-15(17)18(16)22-12/h2-9H,10-11,20H2,1H3,(H,21,22)
InChI Key:
HBUXZDWBSFNLEW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)N1CCc2c(c3c1cccc3)[nH]c(n2)C.Cl
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.38g/mol
Monoisotopic Mass:
318.148g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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