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Home > Indoles and Oxindole > 642948-82-1
642948-82-1 | N-(2,3-dihydro-1H-indole-1-carbothioyl)-4-nitrobenzamide
CAS No: 642948-82-1 Catalog No: AG00J05R MDL No:MFCD02662194
Product Description
Catalog Number:
AG00J05R
Chemical Name:
N-(2,3-dihydro-1H-indole-1-carbothioyl)-4-nitrobenzamide
CAS Number:
642948-82-1
Molecular Formula:
C16H13N3O3S
Molecular Weight:
327.3577
MDL Number:
MFCD02662194
IUPAC Name:
N-(2,3-dihydroindole-1-carbothioyl)-4-nitrobenzamide
InChI:
InChI=1S/C16H13N3O3S/c20-15(12-5-7-13(8-6-12)19(21)22)17-16(23)18-10-9-11-3-1-2-4-14(11)18/h1-8H,9-10H2,(H,17,20,23)
InChI Key:
OHJSWYXGZHREKK-UHFFFAOYSA-N
SMILES:
S=C(N1CCc2c1cccc2)NC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.358g/mol
Monoisotopic Mass:
327.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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