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478041-06-4 | 2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-3-phenylcyclopropane-1,1-dicarbonitrile
CAS No: 478041-06-4 Catalog No: AG00ITM6 MDL No:MFCD02186168
Product Description
Catalog Number:
AG00ITM6
Chemical Name:
2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-3-phenylcyclopropane-1,1-dicarbonitrile
CAS Number:
478041-06-4
Molecular Formula:
C22H15N3OS
Molecular Weight:
369.4390
MDL Number:
MFCD02186168
IUPAC Name:
2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-3-phenylcyclopropane-1,1-dicarbonitrile
InChI:
InChI=1S/C22H15N3OS/c1-14-20(27-21(25-14)16-10-6-3-7-11-16)19(26)18-17(22(18,12-23)13-24)15-8-4-2-5-9-15/h2-11,17-18H,1H3
InChI Key:
BDYYPLPCRMSQLT-UHFFFAOYSA-N
SMILES:
N#CC1(C#N)C(C1c1ccccc1)C(=O)c1sc(nc1C)c1ccccc1
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.442g/mol
Monoisotopic Mass:
369.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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