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7146-89-6 | Methanone,[7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo[4,5-g]isoquinolin-6(5H)-yl]phenyl-
CAS No: 7146-89-6 Catalog No: AG0066T9 MDL No:
Product Description
Catalog Number:
AG0066T9
Chemical Name:
Methanone,[7,8-dihydro-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolo[4,5-g]isoquinolin-6(5H)-yl]phenyl-
CAS Number:
7146-89-6
Molecular Formula:
C26H25NO6
Molecular Weight:
447.4798
IUPAC Name:
phenyl-[5-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-yl]methanone
InChI:
InChI=1S/C26H25NO6/c1-29-22-12-18(13-23(30-2)25(22)31-3)24-19-14-21-20(32-15-33-21)11-17(19)9-10-27(24)26(28)16-7-5-4-6-8-16/h4-8,11-14,24H,9-10,15H2,1-3H3
InChI Key:
SETZVAWJHKWTRV-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1OC)C1N(CCc2c1cc1OCOc1c2)C(=O)c1ccccc1
NSC Number:
61777
Properties
Complexity:
655
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.168g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.487g/mol
Monoisotopic Mass:
447.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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