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Home > Imidazoles > 33852-19-6
33852-19-6 | 3-methoxy-7,8,9,10,10a,11-hexahydro-13h-pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one
CAS No: 33852-19-6 Catalog No: AG007IN3 MDL No:
Product Description
Catalog Number:
AG007IN3
Chemical Name:
3-methoxy-7,8,9,10,10a,11-hexahydro-13h-pyrido[1',2':3,4]imidazo[2,1-b]quinazolin-13-one
CAS Number:
33852-19-6
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
IUPAC Name:
6-methoxy-1,9,11-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9-tetraen-2-one
InChI:
InChI=1S/C15H17N3O2/c1-20-11-5-6-12-13(8-11)16-15-17-7-3-2-4-10(17)9-18(15)14(12)19/h5-6,8,10H,2-4,7,9H2,1H3
InChI Key:
UGBQZQFYLHAYTE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc1n(c2=O)CC2N1CCCC2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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