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894192-79-1 | N-(2,5-dimethoxyphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide
CAS No: 894192-79-1 Catalog No: AG01C2J3 MDL No:MFCD14917320
Product Description
Catalog Number:
AG01C2J3
Chemical Name:
N-(2,5-dimethoxyphenyl)-4-(1H-indol-3-yl)-1,2,3,6-tetrahydropyridine-1-carboxamide
CAS Number:
894192-79-1
Molecular Formula:
C22H23N3O3
Molecular Weight:
377.4363
MDL Number:
MFCD14917320
IUPAC Name:
N-(2,5-dimethoxyphenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
InChI:
InChI=1S/C22H23N3O3/c1-27-16-7-8-21(28-2)20(13-16)24-22(26)25-11-9-15(10-12-25)18-14-23-19-6-4-3-5-17(18)19/h3-9,13-14,23H,10-12H2,1-2H3,(H,24,26)
InChI Key:
BOTLGBQKYVFPJY-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1NC(=O)N1CCC(=CC1)c1c[nH]c2c1cccc2)OC
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
377.444g/mol
Monoisotopic Mass:
377.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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