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126193-48-4 | 4(5H)-Thiazolone, 2-[(5-methyl-2-phenyl-1H-indol-3-yl)amino]-
CAS No: 126193-48-4 Catalog No: AG000S6T MDL No:
Product Description
Catalog Number:
AG000S6T
Chemical Name:
4(5H)-Thiazolone, 2-[(5-methyl-2-phenyl-1H-indol-3-yl)amino]-
CAS Number:
126193-48-4
Molecular Formula:
C18H15N3OS
Molecular Weight:
321.3962
IUPAC Name:
2-[(5-methyl-2-phenyl-1H-indol-3-yl)imino]-1,3-thiazolidin-4-one
InChI:
InChI=1S/C18H15N3OS/c1-11-7-8-14-13(9-11)17(21-18-20-15(22)10-23-18)16(19-14)12-5-3-2-4-6-12/h2-9,19H,10H2,1H3,(H,20,21,22)
InChI Key:
CESPOXQLSRKAMB-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(NC1=NC(=O)CS1)c([nH]2)c1ccccc1
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.094g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.398g/mol
Monoisotopic Mass:
321.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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