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448906-49-8 | 1-Propanone, 1-[2-(1H-indol-3-ylcarbonyl)-4-thiazolyl]-
CAS No: 448906-49-8 Catalog No: AG00718I MDL No:
Product Description
Catalog Number:
AG00718I
Chemical Name:
1-Propanone, 1-[2-(1H-indol-3-ylcarbonyl)-4-thiazolyl]-
CAS Number:
448906-49-8
Molecular Formula:
C15H12N2O2S
Molecular Weight:
284.3330
IUPAC Name:
1-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
InChI:
InChI=1S/C15H12N2O2S/c1-2-13(18)12-8-20-15(17-12)14(19)10-7-16-11-6-4-3-5-9(10)11/h3-8,16H,2H2,1H3
InChI Key:
OBBRJNFGRVYPAJ-UHFFFAOYSA-N
SMILES:
CCC(=O)c1csc(n1)C(=O)c1c[nH]c2c1cccc2
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.062g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.333g/mol
Monoisotopic Mass:
284.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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