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20569-49-7 | 1H-3-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenyl-
CAS No: 20569-49-7 Catalog No: AG002AAN MDL No:
Product Description
Catalog Number:
AG002AAN
Chemical Name:
1H-3-Benzazepine, 2,3,4,5-tetrahydro-7,8-dimethoxy-1-phenyl-
CAS Number:
20569-49-7
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
7,8-dimethoxy-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
InChI:
InChI=1S/C18H21NO2/c1-20-17-10-14-8-9-19-12-16(13-6-4-3-5-7-13)15(14)11-18(17)21-2/h3-7,10-11,16,19H,8-9,12H2,1-2H3
InChI Key:
YCCXFCQLRGMHPB-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)CCNCC2c1ccccc1
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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