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84312-88-9 | 2-Quinazolinepropanoicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-
CAS No: 84312-88-9 Catalog No: AG004T95 MDL No:
Product Description
Catalog Number:
AG004T95
Chemical Name:
2-Quinazolinepropanoicacid, 3,4-dihydro-4-oxo-3-(phenylmethyl)-
CAS Number:
84312-88-9
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
3-(3-benzyl-4-oxoquinazolin-2-yl)propanoic acid
InChI:
InChI=1S/C18H16N2O3/c21-17(22)11-10-16-19-15-9-5-4-8-14(15)18(23)20(16)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)
InChI Key:
PQIKBEJLCXECHM-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1nc2ccccc2c(=O)n1Cc1ccccc1
NSC Number:
251913
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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