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143993-31-1 | Imidazo[5,1-b]quinazolin-9(1H)-one, 2,3-dihydro-2-(phenylmethyl)-
CAS No: 143993-31-1 Catalog No: AG001IPT MDL No:
Product Description
Catalog Number:
AG001IPT
Chemical Name:
Imidazo[5,1-b]quinazolin-9(1H)-one, 2,3-dihydro-2-(phenylmethyl)-
CAS Number:
143993-31-1
Molecular Formula:
C17H15N3O
Molecular Weight:
277.3205
IUPAC Name:
2-benzyl-1,3-dihydroimidazo[5,1-b]quinazolin-9-one
InChI:
InChI=1S/C17H15N3O/c21-17-14-8-4-5-9-15(14)18-16-11-19(12-20(16)17)10-13-6-2-1-3-7-13/h1-9H,10-12H2
InChI Key:
SCDMPNYGJXPKGC-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2nc2n1CN(C2)Cc1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.327g/mol
Monoisotopic Mass:
277.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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