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114948-31-1 | 4H-Thieno[3,2-c][1]benzopyran-2-carboxamide, 4-phenyl-
CAS No: 114948-31-1 Catalog No: AG000FHB MDL No:
Product Description
Catalog Number:
AG000FHB
Chemical Name:
4H-Thieno[3,2-c][1]benzopyran-2-carboxamide, 4-phenyl-
CAS Number:
114948-31-1
Molecular Formula:
C18H13NO2S
Molecular Weight:
307.3663
IUPAC Name:
4-phenyl-4H-thieno[3,2-c]chromene-2-carboxamide
InChI:
InChI=1S/C18H13NO2S/c19-18(20)15-10-13-16(11-6-2-1-3-7-11)21-14-9-5-4-8-12(14)17(13)22-15/h1-10,16H,(H2,19,20)
InChI Key:
ORTMYYMQOBTLLG-UHFFFAOYSA-N
SMILES:
NC(=O)c1cc2c(s1)c1ccccc1OC2c1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.367g/mol
Monoisotopic Mass:
307.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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