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Home > Indoles and Oxindole > 88629-48-5
88629-48-5 | Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1,3,8-trimethyl-6-phenyl-
CAS No: 88629-48-5 Catalog No: AG004A7T MDL No:
Product Description
Catalog Number:
AG004A7T
Chemical Name:
Azepino[4,5-b]indole, 1,2,3,4,5,6-hexahydro-1,3,8-trimethyl-6-phenyl-
CAS Number:
88629-48-5
Molecular Formula:
C21H24N2
Molecular Weight:
304.4287
IUPAC Name:
1,3,8-trimethyl-6-phenyl-1,2,4,5-tetrahydroazepino[4,5-b]indole
InChI:
InChI=1S/C21H24N2/c1-15-9-10-18-20(13-15)23(17-7-5-4-6-8-17)19-11-12-22(3)14-16(2)21(18)19/h4-10,13,16H,11-12,14H2,1-3H3
InChI Key:
ARLISBCHTJWWJX-UHFFFAOYSA-N
SMILES:
CN1CCc2c(C(C1)C)c1c(n2c2ccccc2)cc(cc1)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.437g/mol
Monoisotopic Mass:
304.194g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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