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476674-15-4 | (2E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)prop-2-enenitrile
CAS No: 476674-15-4 Catalog No: AG00IXPS MDL No:MFCD04124722
Product Description
Catalog Number:
AG00IXPS
Chemical Name:
(2E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-oxo-4H-chromen-3-yl)prop-2-enenitrile
CAS Number:
476674-15-4
Molecular Formula:
C22H14N2O2S
Molecular Weight:
370.4238
MDL Number:
MFCD04124722
IUPAC Name:
(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-oxochromen-3-yl)prop-2-enenitrile
InChI:
InChI=1S/C22H14N2O2S/c1-14-6-8-15(9-7-14)19-13-27-22(24-19)16(11-23)10-17-12-26-20-5-3-2-4-18(20)21(17)25/h2-10,12-13H,1H3/b16-10+
InChI Key:
FFYUZWURJGUBIZ-MHWRWJLKSA-N
SMILES:
N#C/C(=C\c1coc2c(c1=O)cccc2)/c1scc(n1)c1ccc(cc1)C
Properties
Complexity:
684
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
370.078g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.426g/mol
Monoisotopic Mass:
370.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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