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87331-47-3 | 1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzoxazolyl)-2,3,6,7-tetrahydro-
CAS No: 87331-47-3 Catalog No: AG00IMEY MDL No:
Product Description
Catalog Number:
AG00IMEY
Chemical Name:
1H,5H,11H-[1]Benzopyrano[6,7,8-ij]quinolizin-11-one,10-(2-benzoxazolyl)-2,3,6,7-tetrahydro-
CAS Number:
87331-47-3
IUPAC Name:
5-(1,3-benzoxazol-2-yl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
InChI:
InChI=1S/C22H18N2O3/c25-22-16(21-23-17-7-1-2-8-18(17)26-21)12-14-11-13-5-3-9-24-10-4-6-15(19(13)24)20(14)27-22/h1-2,7-8,11-12H,3-6,9-10H2
InChI Key:
XYFLALJXCJWBPG-UHFFFAOYSA-N
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.397g/mol
Monoisotopic Mass:
358.132g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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