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Home > Indoles and Oxindole > 685107-66-8
685107-66-8 | N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1H-indole-1-carboxamide
CAS No: 685107-66-8 Catalog No: AG00IYGF MDL No:MFCD03617456
Product Description
Catalog Number:
AG00IYGF
Chemical Name:
N-{4-[(phenylsulfanyl)methyl]phenyl}-2,3-dihydro-1H-indole-1-carboxamide
CAS Number:
685107-66-8
Molecular Formula:
C22H20N2OS
Molecular Weight:
360.4720
MDL Number:
MFCD03617456
IUPAC Name:
N-[4-(phenylsulfanylmethyl)phenyl]-2,3-dihydroindole-1-carboxamide
InChI:
InChI=1S/C22H20N2OS/c25-22(24-15-14-18-6-4-5-9-21(18)24)23-19-12-10-17(11-13-19)16-26-20-7-2-1-3-8-20/h1-13H,14-16H2,(H,23,25)
InChI Key:
GCWOSLNUNAZKEY-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c1cccc2)Nc1ccc(cc1)CSc1ccccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.13g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.475g/mol
Monoisotopic Mass:
360.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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