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850656-09-6 | AZEPINO[2,1-B]QUINAZOLIN-12(6H)-ONE, 7,8,9,10-TETRAHYDRO-2,4-DIMETHOXY-
CAS No: 850656-09-6 Catalog No: AG004OPB MDL No:
Product Description
Catalog Number:
AG004OPB
Chemical Name:
AZEPINO[2,1-B]QUINAZOLIN-12(6H)-ONE, 7,8,9,10-TETRAHYDRO-2,4-DIMETHOXY-
CAS Number:
850656-09-6
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
2,4-dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
InChI:
InChI=1S/C15H18N2O3/c1-19-10-8-11-14(12(9-10)20-2)16-13-6-4-3-5-7-17(13)15(11)18/h8-9H,3-7H2,1-2H3
InChI Key:
GUGHWLKZQNJNFN-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)c(=O)n1c(n2)CCCCC1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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