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123845-83-0 | Benzoic acid, 3-[2-(4-oxo-2-phenyl-3(4H)-quinazolinyl)ethyl]-
CAS No: 123845-83-0 Catalog No: AG000L5N MDL No:
Product Description
Catalog Number:
AG000L5N
Chemical Name:
Benzoic acid, 3-[2-(4-oxo-2-phenyl-3(4H)-quinazolinyl)ethyl]-
CAS Number:
123845-83-0
Molecular Formula:
C23H18N2O3
Molecular Weight:
370.4006
IUPAC Name:
3-[2-(4-oxo-2-phenylquinazolin-3-yl)ethyl]benzoic acid
InChI:
InChI=1S/C23H18N2O3/c26-22-19-11-4-5-12-20(19)24-21(17-8-2-1-3-9-17)25(22)14-13-16-7-6-10-18(15-16)23(27)28/h1-12,15H,13-14H2,(H,27,28)
InChI Key:
PHOGTKZJNJOIEV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)CCn1c(nc2c(c1=O)cccc2)c1ccccc1
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.132g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.408g/mol
Monoisotopic Mass:
370.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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