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15832-21-0 | Isoquinoline, 1,2,3,4-tetrahydro-1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-
CAS No: 15832-21-0 Catalog No: AG001Q49 MDL No:
Product Description
Catalog Number:
AG001Q49
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-
CAS Number:
15832-21-0
Molecular Formula:
C20H22N2O2
Molecular Weight:
322.4009
IUPAC Name:
1-(1H-indol-3-ylmethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C20H22N2O2/c1-23-19-10-13-7-8-21-18(16(13)11-20(19)24-2)9-14-12-22-17-6-4-3-5-15(14)17/h3-6,10-12,18,21-22H,7-9H2,1-2H3
InChI Key:
XVIUOHLUFLSLMA-UHFFFAOYSA-N
SMILES:
COc1cc2C(NCCc2cc1OC)Cc1c[nH]c2c1cccc2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.168g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.408g/mol
Monoisotopic Mass:
322.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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