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116481-19-7 | Benzo[h]quinazolin-2(1H)-one, 4-(2-thienyl)-
CAS No: 116481-19-7 Catalog No: AG000CL4 MDL No:
Product Description
Catalog Number:
AG000CL4
Chemical Name:
Benzo[h]quinazolin-2(1H)-one, 4-(2-thienyl)-
CAS Number:
116481-19-7
Molecular Formula:
C16H10N2OS
Molecular Weight:
278.3284
IUPAC Name:
4-thiophen-2-yl-3H-benzo[h]quinazolin-2-one
InChI:
InChI=1S/C16H10N2OS/c19-16-17-14-11-5-2-1-4-10(11)7-8-12(14)15(18-16)13-6-3-9-20-13/h1-9H,(H,17,18,19)
InChI Key:
ZDFPSBBMLBDECP-UHFFFAOYSA-N
SMILES:
O=c1nc(c2cccs2)c2c([nH]1)c1ccccc1cc2
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.051g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.329g/mol
Monoisotopic Mass:
278.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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