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710945-65-6 | N-(1H-indol-5-yl)-2-(phenylsulfanyl)nicotinamide
CAS No: 710945-65-6 Catalog No: AG01CAQL MDL No:MFCD03055943
Product Description
Catalog Number:
AG01CAQL
Chemical Name:
N-(1H-indol-5-yl)-2-(phenylsulfanyl)nicotinamide
CAS Number:
710945-65-6
Molecular Formula:
C20H15N3OS
Molecular Weight:
345.4176
MDL Number:
MFCD03055943
IUPAC Name:
N-(1H-indol-5-yl)-2-phenylsulfanylpyridine-3-carboxamide
InChI:
InChI=1S/C20H15N3OS/c24-19(23-15-8-9-18-14(13-15)10-12-21-18)17-7-4-11-22-20(17)25-16-5-2-1-3-6-16/h1-13,21H,(H,23,24)
InChI Key:
XEDZTOZSBTWYOM-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1Sc1ccccc1)Nc1ccc2c(c1)cc[nH]2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.094g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.42g/mol
Monoisotopic Mass:
345.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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