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1352550-72-1 | 3-{1-[(4-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole
CAS No: 1352550-72-1 Catalog No: AG01A5MR MDL No:MFCD24842969
Product Description
Catalog Number:
AG01A5MR
Chemical Name:
3-{1-[(4-methoxyphenyl)methyl]-1,2,3,6-tetrahydropyridin-4-yl}-1H-indole
CAS Number:
1352550-72-1
Molecular Formula:
C21H22N2O
Molecular Weight:
318.4122
MDL Number:
MFCD24842969
IUPAC Name:
3-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
InChI:
InChI=1S/C21H22N2O/c1-24-18-8-6-16(7-9-18)15-23-12-10-17(11-13-23)20-14-22-21-5-3-2-4-19(20)21/h2-10,14,22H,11-13,15H2,1H3
InChI Key:
HDARUHQXURTTIH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CCC(=CC1)c1c[nH]c2c1cccc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.173g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.42g/mol
Monoisotopic Mass:
318.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
28.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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