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168271-95-2 | 1H-Indole-3-carboxamide, N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-4-oxo-
CAS No: 168271-95-2 Catalog No: AG001XZI MDL No:
Product Description
Catalog Number:
AG001XZI
Chemical Name:
1H-Indole-3-carboxamide, N-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-4-oxo-
CAS Number:
168271-95-2
Molecular Formula:
C17H18N2O3
Molecular Weight:
298.3364
IUPAC Name:
N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
InChI:
InChI=1S/C17H18N2O3/c1-2-22-12-8-6-11(7-9-12)19-17(21)13-10-18-14-4-3-5-15(20)16(13)14/h6-10,18H,2-5H2,1H3,(H,19,21)
InChI Key:
FGIIDISYXFAUER-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)c1c[nH]c2c1C(=O)CCC2
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.342g/mol
Monoisotopic Mass:
298.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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