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Home > Imidazoles > 182202-69-3
182202-69-3 | IMIDAZO[4,5-D][1]BENZAZEPINE, 1,4,5,6-TETRAHYDRO-2-METHYL-6-[(4-METHYLPHENYL)SULFONYL]-, HYDROCHLORIDE (1:1)
CAS No: 182202-69-3 Catalog No: AG0023GV MDL No:
Product Description
Catalog Number:
AG0023GV
Chemical Name:
IMIDAZO[4,5-D][1]BENZAZEPINE, 1,4,5,6-TETRAHYDRO-2-METHYL-6-[(4-METHYLPHENYL)SULFONYL]-, HYDROCHLORIDE (1:1)
CAS Number:
182202-69-3
Molecular Formula:
C19H20ClN3O2S
Molecular Weight:
389.8990
IUPAC Name:
2-methyl-6-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine;hydrochloride
InChI:
InChI=1S/C19H19N3O2S.ClH/c1-13-7-9-15(10-8-13)25(23,24)22-12-11-17-19(21-14(2)20-17)16-5-3-4-6-18(16)22;/h3-10H,11-12H2,1-2H3,(H,20,21);1H
InChI Key:
UUAZQDCJPBUZJJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)N1CCc2c(c3c1cccc3)[nH]c(n2)C.Cl
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
389.898g/mol
Monoisotopic Mass:
389.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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