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7400-13-7

7400-13-7 | 3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2h,8h-chromeno[6,7-e][1,3]oxazin-8-one

CAS No: 7400-13-7 Catalog No: AG005IK5 MDL No:

Product Description

Catalog Number:
AG005IK5
Chemical Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-2h,8h-chromeno[6,7-e][1,3]oxazin-8-one
CAS Number:
7400-13-7
Molecular Formula:
C21H21NO5
Molecular Weight:
367.3951
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
InChI:
InChI=1S/C21H21NO5/c1-24-17-5-3-14(9-20(17)25-2)7-8-22-12-16-10-15-4-6-21(23)27-19(15)11-18(16)26-13-22/h3-6,9-11H,7-8,12-13H2,1-2H3
InChI Key:
GXTBCMYUZWQKAF-UHFFFAOYSA-N
SMILES:
COc1cc(CCN2COc3c(C2)cc2c(c3)oc(=O)cc2)ccc1OC
NSC Number:
59274

Properties

Complexity:
553  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.142g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.401g/mol
Monoisotopic Mass:
367.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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